CID 2731036

2-(((3,4,5-trimethoxyphenyl)methylene)amino)benzoic acid

Structural Information

Molecular Formula
C17H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H17NO5/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-18-13-7-5-4-6-12(13)17(19)20/h4-10H,1-3H3,(H,19,20)
InChIKey
GAOUSPBKBJQGRB-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 170.3
[M+Na]+ 338.09992 178.2
[M-H]- 314.10342 177.7
[M+NH4]+ 333.14452 184.7
[M+K]+ 354.07386 176.2
[M+H-H2O]+ 298.10796 161.9
[M+HCOO]- 360.10890 195.1
[M+CH3COO]- 374.12455 209.8
[M+Na-2H]- 336.08537 173.3
[M]+ 315.11015 176.3
[M]- 315.11125 176.3
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.