CID 6481808

1-(4-bromo-2-chloro-phenyl)-n-[3-(imidazol-1-ylmethyl)phenyl]methanimine

Structural Information

Molecular Formula
C17H13BrClN3
SMILES
C1=CC(=CC(=C1)N=CC2=C(C=C(C=C2)Br)Cl)CN3C=CN=C3
InChI
InChI=1S/C17H13BrClN3/c18-15-5-4-14(17(19)9-15)10-21-16-3-1-2-13(8-16)11-22-7-6-20-12-22/h1-10,12H,11H2
InChIKey
UOUYZAMIGLESSB-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-chlorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.99814 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.00542 177.2
[M+Na]+ 395.98736 190.1
[M-H]- 371.99086 188.0
[M+NH4]+ 391.03196 193.6
[M+K]+ 411.96130 175.5
[M+H-H2O]+ 355.99540 174.1
[M+HCOO]- 417.99634 195.7
[M+CH3COO]- 432.01199 190.7
[M+Na-2H]- 393.97281 182.4
[M]+ 372.99759 198.6
[M]- 372.99869 198.6
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.