CID 607582

4-methoxy-n-(4-pyridinylmethylene)benzenamine monohydrochloride

Structural Information

Molecular Formula
C13H12N2O
SMILES
COC1=CC=C(C=C1)N=CC2=CC=NC=C2
InChI
InChI=1S/C13H12N2O/c1-16-13-4-2-12(3-5-13)15-10-11-6-8-14-9-7-11/h2-10H,1H3
InChIKey
KXRDLSYLPKPOSU-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

212.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.102236 145.5
[M+Na]+ 235.084178 153.4
[M-H]- 211.087684 152.2
[M+NH4]+ 230.128783 163.1
[M+K]+ 251.058118 150.3
[M+H-H2O]+ 195.092220 136.8
[M+HCOO]- 257.093161 171.9
[M+CH3COO]- 271.108811 190.8
[M+Na-2H]- 233.069626 154.4
[M]+ 212.09441142 146.9
[M]- 212.09550858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe