CID 31997

N-(3-chloro-p-tolyl)isonicotinamidine

Structural Information

Molecular Formula
C13H12ClN3
SMILES
CC1=C(C=C(C=C1)N=C(C2=CC=NC=C2)N)Cl
InChI
InChI=1S/C13H12ClN3/c1-9-2-3-11(8-12(9)14)17-13(15)10-4-6-16-7-5-10/h2-8H,1H3,(H2,15,17)
InChIKey
NUNHPHHBQUMIGL-UHFFFAOYSA-N
Compound name
N'-(3-chloro-4-methylphenyl)pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.07198 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07926 154.2
[M+Na]+ 268.06120 169.1
[M+NH4]+ 263.10580 163.2
[M+K]+ 284.03514 160.7
[M-H]- 244.06470 160.0
[M+Na-2H]- 266.04665 164.3
[M]+ 245.07143 158.3
[M]- 245.07253 158.3
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.