CID 213269

Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=CN=CC=C2
InChI
InChI=1S/C15H14N2O2/c1-2-19-15(18)13-5-7-14(8-6-13)17-11-12-4-3-9-16-10-12/h3-11H,2H2,1H3
InChIKey
GNIJCDQVSPKPCR-UHFFFAOYSA-N
Compound name
ethyl 4-(pyridin-3-ylmethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

254.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.5
[M+Na]+ 277.09475 164.4
[M-H]- 253.09825 164.0
[M+NH4]+ 272.13935 173.1
[M+K]+ 293.06869 161.3
[M+H-H2O]+ 237.10279 148.3
[M+HCOO]- 299.10373 182.6
[M+CH3COO]- 313.11938 198.1
[M+Na-2H]- 275.08020 164.0
[M]+ 254.10498 159.5
[M]- 254.10608 159.5
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