PubChemLite - 102150-77-6 (C26H39N3O4)

Structural Information

Molecular Formula

SMILES

C/C=C/C1=CC(=C(C=C1)OCC(=O)NCC(C)(C)CNC(=O)C2=CC(NC2(C)C)(C)C)OC

InChI

InChI=1S/C26H39N3O4/c1-9-10-18-11-12-20(21(13-18)32-8)33-15-22(30)27-16-24(2,3)17-28-23(31)19-14-25(4,5)29-26(19,6)7/h9-14,29H,15-17H2,1-8H3,(H,27,30)(H,28,31)/b10-9+

InChIKey

XFJANHFAZAVOPP-MDZDMXLPSA-N

Compound name

N-[3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2,2-dimethylpropyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

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]+	458.30135	211.1
[M+Na]+	480.28329	215.0
[M-H]-	456.28679	214.7
[M+NH4]+	475.32789	223.4
[M+K]+	496.25723	211.4
[M+H-H2O]+	440.29133	204.8
[M+HCOO]-	502.29227	227.8
[M+CH3COO]-	516.30792	238.2
[M+Na-2H]-	478.26874	210.2
[M]+	457.29352	215.1
[M]-	457.29462	215.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

458.30135

211.1

[M+Na]+

480.28329

215.0

[M-H]-

456.28679

214.7

[M+NH4]+

475.32789

223.4

[M+K]+

496.25723

211.4

[M+H-H2O]+

440.29133

204.8

[M+HCOO]-

502.29227

227.8

[M+CH3COO]-

516.30792

238.2

[M+Na-2H]-

478.26874

210.2

[M]+

457.29352

215.1

[M]-

457.29462

215.1

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

102150-77-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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