PubChemLite - Sc-74020 (C29H42N4O6S)

Structural Information

Molecular Formula

SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)[C@H](C(C)C)C(=O)NO

InChI

InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1

InChIKey

YJNCFXPJICILOK-HHHXNRCGSA-N

Compound name

N-[4-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(2-morpholin-4-ylethyl)sulfamoyl]phenyl]-4-pentylbenzamide

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]+	575.28981	235.6
[M+Na]+	597.27175	231.6
[M-H]-	573.27525	241.3
[M+NH4]+	592.31635	234.4
[M+K]+	613.24569	230.4
[M+H-H2O]+	557.27979	224.3
[M+HCOO]-	619.28073	243.1
[M+CH3COO]-	633.29638	261.0
[M+Na-2H]-	595.25720	233.0
[M]+	574.28198	236.9
[M]-	574.28308	236.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.28981

235.6

[M+Na]+

597.27175

231.6

[M-H]-

573.27525

241.3

[M+NH4]+

592.31635

234.4

[M+K]+

613.24569

230.4

[M+H-H2O]+

557.27979

224.3

[M+HCOO]-

619.28073

243.1

[M+CH3COO]-

633.29638

261.0

[M+Na-2H]-

595.25720

233.0

[M]+

574.28198

236.9

[M]-

574.28308

236.9

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

Sc-74020

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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