PubChemLite - 2-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2,3-dioxo-propanoyl]-n-tert-butyl-benzamide (C26H30N2O6S)

Structural Information

Molecular Formula

SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1C(=O)C(=O)C(=O)N(CC2CCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O6S/c1-26(2,3)27-24(31)21-16-10-9-15-20(21)22(29)23(30)25(32)28(17-18-11-7-8-12-18)35(33,34)19-13-5-4-6-14-19/h4-6,9-10,13-16,18H,7-8,11-12,17H2,1-3H3,(H,27,31)

InChIKey

LAVHOCLXPFQGDD-UHFFFAOYSA-N

Compound name

2-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2,3-dioxopropanoyl]-N-tert-butylbenzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	499.18974	216.9
[M+Na]+	521.17168	216.6
[M-H]-	497.17518	226.3
[M+NH4]+	516.21628	224.4
[M+K]+	537.14562	215.3
[M+H-H2O]+	481.17972	208.8
[M+HCOO]-	543.18066	229.1
[M+CH3COO]-	557.19631	242.1
[M+Na-2H]-	519.15713	214.7
[M]+	498.18191	218.9
[M]-	498.18301	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.18974

216.9

[M+Na]+

521.17168

216.6

[M-H]-

497.17518

226.3

[M+NH4]+

516.21628

224.4

[M+K]+

537.14562

215.3

[M+H-H2O]+

481.17972

208.8

[M+HCOO]-

543.18066

229.1

[M+CH3COO]-

557.19631

242.1

[M+Na-2H]-

519.15713

214.7

[M]+

498.18191

218.9

[M]-

498.18301

218.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2,3-dioxo-propanoyl]-n-tert-butyl-benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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