CID 9604789

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

Structural Information

Molecular Formula
C15H13BrN6S
SMILES
C1=CC=NC(=C1)/C(=N/N=C(\CN2C=CN=C2)/C3=CC=C(S3)Br)/N
InChI
InChI=1S/C15H13BrN6S/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
KBKJBKOBSUVDJA-UDWIEESQSA-N
Compound name
N'-[(E)-[1-(5-bromothiophen-2-yl)-2-imidazol-1-ylethylidene]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0106 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.01788 169.6
[M+Na]+ 410.99982 181.2
[M-H]- 387.00332 181.5
[M+NH4]+ 406.04442 185.4
[M+K]+ 426.97376 168.8
[M+H-H2O]+ 371.00786 166.0
[M+HCOO]- 433.00880 191.0
[M+CH3COO]- 447.02445 183.2
[M+Na-2H]- 408.98527 173.6
[M]+ 388.01005 190.5
[M]- 388.01115 190.5
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.