CID 96305

6957-24-0

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC=NC(=C1)C=NN=CC2=CC=CC=N2
InChI
InChI=1S/C12H10N4/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12/h1-10H
InChIKey
DMQJTSJKMFPBMN-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-N-(pyridin-2-ylmethylideneamino)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

58
Patents

210.09055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 144.5
[M+Na]+ 233.07977 151.9
[M-H]- 209.08327 150.9
[M+NH4]+ 228.12437 160.8
[M+K]+ 249.05371 148.4
[M+H-H2O]+ 193.08781 134.4
[M+HCOO]- 255.08875 172.4
[M+CH3COO]- 269.10440 193.3
[M+Na-2H]- 231.06522 155.8
[M]+ 210.09000 144.6
[M]- 210.09110 144.6
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