CID 9604780

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

Structural Information

Molecular Formula
C17H15BrN6
SMILES
C1=CC=NC(=C1)/C(=N/N=C(\CN2C=CN=C2)/C3=CC=C(C=C3)Br)/N
InChI
InChI=1S/C17H15BrN6/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
UMZYOXAFXGIWPI-CJLVFECKSA-N
Compound name
N'-[(Z)-[1-(4-bromophenyl)-2-imidazol-1-ylethylidene]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.05417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.06145 176.9
[M+Na]+ 405.04339 185.1
[M-H]- 381.04689 187.0
[M+NH4]+ 400.08799 189.6
[M+K]+ 421.01733 172.5
[M+H-H2O]+ 365.05143 171.4
[M+HCOO]- 427.05237 199.7
[M+CH3COO]- 441.06802 188.6
[M+Na-2H]- 403.02884 183.1
[M]+ 382.05362 193.7
[M]- 382.05472 193.7
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.