CID 63587

Brn 5633460

Structural Information

Molecular Formula
C22H15BrN4O
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C22H15BrN4O/c1-13-24-18-11-8-15(23)12-17(18)22(28)27(13)16-9-6-14(7-10-16)21-25-19-4-2-3-5-20(19)26-21/h2-12H,1H3,(H,25,26)
InChIKey
XFOLVVNDJGJQEU-UHFFFAOYSA-N
Compound name
3-[4-(1H-benzimidazol-2-yl)phenyl]-6-bromo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.0429 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.05018 196.7
[M+Na]+ 453.03212 211.1
[M-H]- 429.03562 205.5
[M+NH4]+ 448.07672 208.3
[M+K]+ 469.00606 196.1
[M+H-H2O]+ 413.04016 193.0
[M+HCOO]- 475.04110 212.1
[M+CH3COO]- 489.05675 208.0
[M+Na-2H]- 451.01757 201.9
[M]+ 430.04235 216.6
[M]- 430.04345 216.6
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.