CID 314902

Nsc235731

Structural Information

Molecular Formula
C18H14N4
SMILES
C1=CC=NC(=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC=N3
InChI
InChI=1S/C18H14N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-14H
InChIKey
GEESYBLNAPUAMQ-UHFFFAOYSA-N
Compound name
N-pyridin-2-yl-1-[4-(pyridin-2-yliminomethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

286.12186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12914 166.5
[M+Na]+ 309.11108 173.5
[M-H]- 285.11458 175.6
[M+NH4]+ 304.15568 179.2
[M+K]+ 325.08502 167.6
[M+H-H2O]+ 269.11912 154.6
[M+HCOO]- 331.12006 193.4
[M+CH3COO]- 345.13571 178.0
[M+Na-2H]- 307.09653 176.3
[M]+ 286.12131 166.2
[M]- 286.12241 166.2
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