CID 202726

4-(veratrylideneamino)benzoic acid

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O)OC
InChI
InChI=1S/C16H15NO4/c1-20-14-8-3-11(9-15(14)21-2)10-17-13-6-4-12(5-7-13)16(18)19/h3-10H,1-2H3,(H,18,19)
InChIKey
GXQAOUFDVRTGGL-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

285.1001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 163.3
[M+Na]+ 308.08932 170.9
[M-H]- 284.09282 170.4
[M+NH4]+ 303.13392 178.7
[M+K]+ 324.06326 168.3
[M+H-H2O]+ 268.09736 155.1
[M+HCOO]- 330.09830 188.2
[M+CH3COO]- 344.11395 203.3
[M+Na-2H]- 306.07477 167.4
[M]+ 285.09955 167.1
[M]- 285.10065 167.1
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