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]+ 315.100906 169.8
[M+Na]+ 337.082848 174.6
[M-H]- 313.086354 172.2
[M+NH4]+ 332.127453 183.3
[M+K]+ 353.056788 171.9
[M+H-H2O]+ 297.090890 162.3
[M+HCOO]- 359.091831 187.0
[M+CH3COO]- 373.107481 206.2
[M+Na-2H]- 335.068296 171.1
[M]+ 314.09308142 173.3
[M]- 314.09417858 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.