CID 3055052

N-(4-acetamidobenzylidene)anthranilic acid

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC(=O)NC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H14N2O3/c1-11(19)18-13-8-6-12(7-9-13)10-17-15-5-3-2-4-14(15)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKey
XYBYGKBBTCVGLY-UHFFFAOYSA-N
Compound name
2-[(4-acetamidophenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

282.10043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.8
[M+Na]+ 305.08965 169.8
[M-H]- 281.09315 170.7
[M+NH4]+ 300.13425 178.7
[M+K]+ 321.06359 166.5
[M+H-H2O]+ 265.09769 155.5
[M+HCOO]- 327.09863 188.8
[M+CH3COO]- 341.11428 204.6
[M+Na-2H]- 303.07510 167.8
[M]+ 282.09988 163.7
[M]- 282.10098 163.7
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