CID 63943

4(3h)-quinazolinone, 6-bromo-2-phenyl-3-(2-(1-(1-piperidinylmethyl)-1h-benzimidazol-2-yl)phenyl)-

Structural Information

Molecular Formula
C33H28BrN5O
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4N5C(=NC6=C(C5=O)C=C(C=C6)Br)C7=CC=CC=C7
InChI
InChI=1S/C33H28BrN5O/c34-24-17-18-27-26(21-24)33(40)39(31(35-27)23-11-3-1-4-12-23)29-15-7-5-13-25(29)32-36-28-14-6-8-16-30(28)38(32)22-37-19-9-2-10-20-37/h1,3-8,11-18,21H,2,9-10,19-20,22H2
InChIKey
WZWSZFMELOSJDC-UHFFFAOYSA-N
Compound name
6-bromo-2-phenyl-3-[2-[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.1477 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.15498 240.8
[M+Na]+ 612.13692 249.5
[M-H]- 588.14042 252.5
[M+NH4]+ 607.18152 243.5
[M+K]+ 628.11086 234.3
[M+H-H2O]+ 572.14496 232.6
[M+HCOO]- 634.14590 249.8
[M+CH3COO]- 648.16155 246.7
[M+Na-2H]- 610.12237 240.2
[M]+ 589.14715 255.8
[M]- 589.14825 255.8
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.