CID 3058961

4-(p-mesylglycolamidophenyl)butyramide

Structural Information

Molecular Formula
C13H18N2O5S
SMILES
CS(=O)(=O)OCC(=O)NC1=CC=C(C=C1)CCCC(=O)N
InChI
InChI=1S/C13H18N2O5S/c1-21(18,19)20-9-13(17)15-11-7-5-10(6-8-11)3-2-4-12(14)16/h5-8H,2-4,9H2,1H3,(H2,14,16)(H,15,17)
InChIKey
VXIDVFBTSZXCKK-UHFFFAOYSA-N
Compound name
[2-[4-(4-amino-4-oxobutyl)anilino]-2-oxoethyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.09363 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10091 170.4
[M+Na]+ 337.08285 176.8
[M+NH4]+ 332.12745 174.4
[M+K]+ 353.05679 172.4
[M-H]- 313.08635 169.3
[M+Na-2H]- 335.06830 172.6
[M]+ 314.09308 170.8
[M]- 314.09418 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.