CID 211745

Nicotinamidine, n-p-tolyl-

Structural Information

Molecular Formula
C13H13N3
SMILES
CC1=CC=C(C=C1)N=C(C2=CN=CC=C2)N
InChI
InChI=1S/C13H13N3/c1-10-4-6-12(7-5-10)16-13(14)11-3-2-8-15-9-11/h2-9H,1H3,(H2,14,16)
InChIKey
UXVZFZPIMQNYLG-UHFFFAOYSA-N
Compound name
N'-(4-methylphenyl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118226 147.0
[M+Na]+ 234.100168 153.9
[M-H]- 210.103674 153.3
[M+NH4]+ 229.144773 164.0
[M+K]+ 250.074108 150.2
[M+H-H2O]+ 194.108210 138.3
[M+HCOO]- 256.109151 172.6
[M+CH3COO]- 270.124801 193.8
[M+Na-2H]- 232.085616 154.1
[M]+ 211.11040142 144.7
[M]- 211.11149858 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.