CID 9604875

N-[(e)-[1-(5-chloro-2-thienyl)-2-imidazol-1-yl-ethylidene]amino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C15H13ClN6S
SMILES
C1=CC=NC(=C1)/C(=N/N=C(\CN2C=CN=C2)/C3=CC=C(S3)Cl)/N
InChI
InChI=1S/C15H13ClN6S/c16-14-5-4-13(23-14)12(9-22-8-7-18-10-22)20-21-15(17)11-3-1-2-6-19-11/h1-8,10H,9H2,(H2,17,21)/b20-12+
InChIKey
QBJYWJLCQFPANP-UDWIEESQSA-N
Compound name
N'-[(E)-[1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethylidene]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0611 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06838 177.6
[M+Na]+ 367.05032 186.7
[M-H]- 343.05382 187.1
[M+NH4]+ 362.09492 191.9
[M+K]+ 383.02426 180.9
[M+H-H2O]+ 327.05836 167.6
[M+HCOO]- 389.05930 196.4
[M+CH3COO]- 403.07495 189.0
[M+Na-2H]- 365.03577 178.7
[M]+ 344.06055 182.1
[M]- 344.06165 182.1
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.