CID 211776

23565-08-4

Structural Information

Molecular Formula
C13H12ClN3
SMILES
CC1=C(C=C(C=C1)N=C(C2=CN=CC=C2)N)Cl
InChI
InChI=1S/C13H12ClN3/c1-9-4-5-11(7-12(9)14)17-13(15)10-3-2-6-16-8-10/h2-8H,1H3,(H2,15,17)
InChIKey
VNNUPHBGLBVTDD-UHFFFAOYSA-N
Compound name
N'-(3-chloro-4-methylphenyl)pyridine-3-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 154.6
[M+Na]+ 268.06120 163.2
[M-H]- 244.06470 160.9
[M+NH4]+ 263.10580 171.3
[M+K]+ 284.03514 157.7
[M+H-H2O]+ 228.06924 146.7
[M+HCOO]- 290.07018 175.5
[M+CH3COO]- 304.08583 198.7
[M+Na-2H]- 266.04665 160.3
[M]+ 245.07143 154.9
[M]- 245.07253 154.9
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.