CID 213269

25927-67-7

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: 14
Patents: 254.10553 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.112806	157.5
[M+Na]+	277.094748	164.4
[M-H]-	253.098254	164.0
[M+NH4]+	272.139353	173.1
[M+K]+	293.068688	161.3
[M+H-H2O]+	237.102790	148.3
[M+HCOO]-	299.103731	182.6
[M+CH3COO]-	313.119381	198.1
[M+Na-2H]-	275.080196	164.0
[M]+	254.10498142	159.5
[M]-	254.10607858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe