CID 386383

Nsc678354

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CN(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C16H16N2O3/c1-18(12-7-3-2-4-8-12)11-15(19)17-14-10-6-5-9-13(14)16(20)21/h2-10H,11H2,1H3,(H,17,19)(H,20,21)
InChIKey
BJXLDMRHVAZHAF-UHFFFAOYSA-N
Compound name
2-[[2-(N-methylanilino)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 165.0
[M+Na]+ 307.10532 169.3
[M-H]- 283.10882 171.4
[M+NH4]+ 302.14992 179.3
[M+K]+ 323.07926 167.2
[M+H-H2O]+ 267.11336 156.5
[M+HCOO]- 329.11430 188.7
[M+CH3COO]- 343.12995 205.7
[M+Na-2H]- 305.09077 168.4
[M]+ 284.11555 164.6
[M]- 284.11665 164.6
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

No patent data available for this compound.