CID 63946

4(3h)-quinazolinone, 2-phenyl-3-(2-(1-(1-pyrrolidinylmethyl)-1h-benzimidazol-2-yl)phenyl)-

Structural Information

Molecular Formula
C32H27N5O
SMILES
C1CCN(C1)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7
InChI
InChI=1S/C32H27N5O/c38-32-24-14-4-6-16-26(24)33-30(23-12-2-1-3-13-23)37(32)28-18-8-5-15-25(28)31-34-27-17-7-9-19-29(27)36(31)22-35-20-10-11-21-35/h1-9,12-19H,10-11,20-22H2
InChIKey
QZRXAUWHYAKMRL-UHFFFAOYSA-N
Compound name
2-phenyl-3-[2-[1-(pyrrolidin-1-ylmethyl)benzimidazol-2-yl]phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.22156 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.22884 222.6
[M+Na]+ 520.21078 230.8
[M-H]- 496.21428 233.8
[M+NH4]+ 515.25538 226.5
[M+K]+ 536.18472 219.8
[M+H-H2O]+ 480.21882 207.1
[M+HCOO]- 542.21976 236.3
[M+CH3COO]- 556.23541 228.9
[M+Na-2H]- 518.19623 220.3
[M]+ 497.22101 221.8
[M]- 497.22211 221.8
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.