CID 9604781

N-[(z)-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethylidene]amino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C17H15ClN6
SMILES
C1=CC=NC(=C1)/C(=N/N=C(\CN2C=CN=C2)/C3=CC=C(C=C3)Cl)/N
InChI
InChI=1S/C17H15ClN6/c18-14-6-4-13(5-7-14)16(11-24-10-9-20-12-24)22-23-17(19)15-3-1-2-8-21-15/h1-10,12H,11H2,(H2,19,23)/b22-16+
InChIKey
VNXOBDCRCRMABR-CJLVFECKSA-N
Compound name
N'-[(Z)-[1-(4-chlorophenyl)-2-imidazol-1-ylethylidene]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.10468 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11196 177.9
[M+Na]+ 361.09390 184.3
[M-H]- 337.09740 185.6
[M+NH4]+ 356.13850 189.2
[M+K]+ 377.06784 178.1
[M+H-H2O]+ 321.10194 165.9
[M+HCOO]- 383.10288 198.5
[M+CH3COO]- 397.11853 187.9
[M+Na-2H]- 359.07935 182.4
[M]+ 338.10413 178.3
[M]- 338.10523 178.3
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.