CID 52270

P-(o-methoxybenzylidene)aminobenzoic acid ethyl ester

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=CC=C2OC
InChI
InChI=1S/C17H17NO3/c1-3-21-17(19)13-8-10-15(11-9-13)18-12-14-6-4-5-7-16(14)20-2/h4-12H,3H2,1-2H3
InChIKey
CWDFJALWJPSIIY-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-methoxyphenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 165.2
[M+Na]+ 306.11007 172.2
[M-H]- 282.11357 173.3
[M+NH4]+ 301.15467 181.3
[M+K]+ 322.08401 169.5
[M+H-H2O]+ 266.11811 156.6
[M+HCOO]- 328.11905 191.2
[M+CH3COO]- 342.13470 204.8
[M+Na-2H]- 304.09552 169.8
[M]+ 283.12030 169.3
[M]- 283.12140 169.3
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

patents stripe