PubChemLite - 32794-97-1 (C24H34N4O4S)

Structural Information

Molecular Formula

SMILES

CCC(C)NCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(C)CC

InChI

InChI=1S/C24H34N4O4S/c1-5-17(3)25-15-23(29)27-19-7-11-21(12-8-19)33(31,32)22-13-9-20(10-14-22)28-24(30)16-26-18(4)6-2/h7-14,17-18,25-26H,5-6,15-16H2,1-4H3,(H,27,29)(H,28,30)

InChIKey

WUJXWWBIKAFXTA-UHFFFAOYSA-N

Compound name

2-(butan-2-ylamino)-N-[4-[4-[[2-(butan-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide

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]+	475.23735	214.2
[M+Na]+	497.21929	213.9
[M-H]-	473.22279	218.9
[M+NH4]+	492.26389	220.3
[M+K]+	513.19323	210.2
[M+H-H2O]+	457.22733	204.1
[M+HCOO]-	519.22827	229.5
[M+CH3COO]-	533.24392	246.2
[M+Na-2H]-	495.20474	213.0
[M]+	474.22952	216.2
[M]-	474.23062	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.23735

214.2

[M+Na]+

497.21929

213.9

[M-H]-

473.22279

218.9

[M+NH4]+

492.26389

220.3

[M+K]+

513.19323

210.2

[M+H-H2O]+

457.22733

204.1

[M+HCOO]-

519.22827

229.5

[M+CH3COO]-

533.24392

246.2

[M+Na-2H]-

495.20474

213.0

[M]+

474.22952

216.2

[M]-

474.23062

216.2

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

32794-97-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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