CID 102341

2847-14-5

Structural Information

Molecular Formula
C14H14N4
SMILES
C1=CC=NC(=C1)C=NCCN=CC2=CC=CC=N2
InChI
InChI=1S/C14H14N4/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14/h1-8,11-12H,9-10H2
InChIKey
LFLIOYNYGXICME-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)ethyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

238.12184 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.129116 153.5
[M+Na]+ 261.111058 160.0
[M-H]- 237.114564 159.4
[M+NH4]+ 256.155663 168.6
[M+K]+ 277.084998 156.0
[M+H-H2O]+ 221.119100 142.9
[M+HCOO]- 283.120041 180.6
[M+CH3COO]- 297.135691 199.4
[M+Na-2H]- 259.096506 163.7
[M]+ 238.12129142 154.3
[M]- 238.12238858 154.3
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