CID 63650

91045-28-2

Structural Information

Molecular Formula
C34H30BrN5O
SMILES
CN1CCC(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/C34H30BrN5O/c1-38-19-17-23(18-20-38)22-39-31-14-8-6-12-29(31)37-33(39)26-11-5-7-13-30(26)40-32(24-9-3-2-4-10-24)36-28-16-15-25(35)21-27(28)34(40)41/h2-16,21,23H,17-20,22H2,1H3
InChIKey
UVDCGTIPHXCYGQ-UHFFFAOYSA-N
Compound name
6-bromo-3-[2-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]phenyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.1634 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.17068 245.7
[M+Na]+ 626.15262 256.1
[M+NH4]+ 621.19722 249.2
[M+K]+ 642.12656 251.3
[M-H]- 602.15612 253.0
[M+Na-2H]- 624.13807 251.9
[M]+ 603.16285 248.6
[M]- 603.16395 248.6
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.