CID 3055054

Chembl3941403

Structural Information

Molecular Formula
C17H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H17NO5/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-18-13-6-4-12(5-7-13)17(19)20/h4-10H,1-3H3,(H,19,20)
InChIKey
QVWMHFJKKZWRMW-UHFFFAOYSA-N
Compound name
4-[(3,4,5-trimethoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.1107 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 172.0
[M+Na]+ 338.09992 184.8
[M+NH4]+ 333.14452 178.0
[M+K]+ 354.07386 178.9
[M-H]- 314.10342 175.2
[M+Na-2H]- 336.08537 178.8
[M]+ 315.11015 174.5
[M]- 315.11125 174.5
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

No patent data available for this compound.