CID 3055047

Brn 2991775

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCOC1=C(C=C(C=C1)C=NC2=CC=CC=C2C(=O)O)OCC
InChI
InChI=1S/C18H19NO4/c1-3-22-16-10-9-13(11-17(16)23-4-2)12-19-15-8-6-5-7-14(15)18(20)21/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKey
FRIWIWYZJJYHSO-UHFFFAOYSA-N
Compound name
2-[(3,4-diethoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 172.5
[M+Na]+ 336.12062 179.2
[M-H]- 312.12412 179.3
[M+NH4]+ 331.16522 186.7
[M+K]+ 352.09456 176.2
[M+H-H2O]+ 296.12866 163.9
[M+HCOO]- 358.12960 196.7
[M+CH3COO]- 372.14525 209.3
[M+Na-2H]- 334.10607 175.5
[M]+ 313.13085 177.0
[M]- 313.13195 177.0
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.