CID 49768207

Schembl1961107

Structural Information

Molecular Formula
C19H13Br2N3
SMILES
C1=CC=C(C=C1)C2=NC3=CN(C=C(C3=N2)Br)CC4=CC=C(C=C4)Br
InChI
InChI=1S/C19H13Br2N3/c20-15-8-6-13(7-9-15)10-24-11-16(21)18-17(12-24)22-19(23-18)14-4-2-1-3-5-14/h1-9,11-12H,10H2
InChIKey
HPGMTTBGWZJGJO-UHFFFAOYSA-N
Compound name
7-bromo-5-[(4-bromophenyl)methyl]-2-phenylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

440.94763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.95491 175.5
[M+Na]+ 463.93685 186.6
[M-H]- 439.94035 185.0
[M+NH4]+ 458.98145 189.2
[M+K]+ 479.91079 171.2
[M+H-H2O]+ 423.94489 182.5
[M+HCOO]- 485.94583 189.3
[M+CH3COO]- 499.96148 187.5
[M+Na-2H]- 461.92230 180.9
[M]+ 440.94708 210.1
[M]- 440.94818 210.1
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

patents stripe