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 169.8
[M+Na]+ 337.08285 174.6
[M-H]- 313.08635 172.2
[M+NH4]+ 332.12745 183.3
[M+K]+ 353.05679 171.9
[M+H-H2O]+ 297.09089 162.3
[M+HCOO]- 359.09183 187.0
[M+CH3COO]- 373.10748 206.2
[M+Na-2H]- 335.06830 171.1
[M]+ 314.09308 173.3
[M]- 314.09418 173.3
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.