CID 3055058

Brn 2988985

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC(=O)NC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H14N2O3/c1-11(19)18-15-6-2-12(3-7-15)10-17-14-8-4-13(5-9-14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKey
GEXWWCYSDYOMSG-UHFFFAOYSA-N
Compound name
4-[(4-acetamidophenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.107706 163.8
[M+Na]+ 305.089648 169.8
[M-H]- 281.093154 170.7
[M+NH4]+ 300.134253 178.7
[M+K]+ 321.063588 166.5
[M+H-H2O]+ 265.097690 155.5
[M+HCOO]- 327.098631 188.8
[M+CH3COO]- 341.114281 204.6
[M+Na-2H]- 303.075096 167.8
[M]+ 282.09988142 163.7
[M]- 282.10097858 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

No patent data available for this compound.