CID 229013

Refchem:74425

Structural Information

Molecular Formula
C18H11BrN2O2
SMILES
CC1=NC2=C(N1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C18H11BrN2O2/c1-10-20-15-16(21(10)12-8-6-11(19)7-9-12)18(23)14-5-3-2-4-13(14)17(15)22/h2-9H,1H3
InChIKey
APVKJXLEZCSCCT-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2-methylbenzo[f]benzimidazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

366.0004 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00768 178.5
[M+Na]+ 388.98962 192.8
[M-H]- 364.99312 187.9
[M+NH4]+ 384.03422 196.3
[M+K]+ 404.96356 179.9
[M+H-H2O]+ 348.99766 176.8
[M+HCOO]- 410.99860 196.0
[M+CH3COO]- 425.01425 192.1
[M+Na-2H]- 386.97507 182.7
[M]+ 365.99985 198.9
[M]- 366.00095 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe