CID 2735923

3,4-diacetamidobenzoic acid

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)C
InChI
InChI=1S/C11H12N2O4/c1-6(14)12-9-4-3-8(11(16)17)5-10(9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKey
GHTLCMPYQOFKCS-UHFFFAOYSA-N
Compound name
3,4-diacetamidobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

236.07971 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 152.0
[M+Na]+ 259.06893 160.4
[M+NH4]+ 254.11353 156.9
[M+K]+ 275.04287 157.6
[M-H]- 235.07243 151.9
[M+Na-2H]- 257.05438 155.2
[M]+ 236.07916 152.5
[M]- 236.08026 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe