CID 3055055

Brn 3002215

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCOC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O)OCC
InChI
InChI=1S/C18H19NO4/c1-3-22-16-10-5-13(11-17(16)23-4-2)12-19-15-8-6-14(7-9-15)18(20)21/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKey
HHFKXMTUVWZWFV-UHFFFAOYSA-N
Compound name
4-[(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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 172.5
[M+Na]+ 336.120618 179.2
[M-H]- 312.124124 179.3
[M+NH4]+ 331.165223 186.7
[M+K]+ 352.094558 176.2
[M+H-H2O]+ 296.128660 163.9
[M+HCOO]- 358.129601 196.7
[M+CH3COO]- 372.145251 209.3
[M+Na-2H]- 334.106066 175.5
[M]+ 313.13085142 177.0
[M]- 313.13194858 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.