CID 11219868

Dtxsid80459198

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2CC(=O)O
InChI
InChI=1S/C16H15NO4/c1-21-16(20)17(13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-15(18)19/h2-10H,11H2,1H3,(H,18,19)
InChIKey
GOSNMUNJYZVVFQ-UHFFFAOYSA-N
Compound name
2-[2-(N-methoxycarbonylanilino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

285.1001 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.107376 164.3
[M+Na]+ 308.089318 169.5
[M-H]- 284.092824 170.9
[M+NH4]+ 303.133923 178.9
[M+K]+ 324.063258 168.0
[M+H-H2O]+ 268.097360 156.0
[M+HCOO]- 330.098301 187.2
[M+CH3COO]- 344.113951 202.0
[M+Na-2H]- 306.074766 167.4
[M]+ 285.09955142 166.0
[M]- 285.10064858 166.0
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

patents stripe