CID 63653

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

Structural Information

Molecular Formula
C28H27N5O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C4=NC5=CC=CC=C5N4CN6CCCCC6
InChI
InChI=1S/C28H27N5O/c1-20-29-23-13-5-3-11-21(23)28(34)33(20)25-15-7-4-12-22(25)27-30-24-14-6-8-16-26(24)32(27)19-31-17-9-2-10-18-31/h3-8,11-16H,2,9-10,17-19H2,1H3
InChIKey
KWXXLAWJVQCFDC-UHFFFAOYSA-N
Compound name
2-methyl-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

449.22156 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.22884 215.5
[M+Na]+ 472.21078 223.7
[M-H]- 448.21428 222.9
[M+NH4]+ 467.25538 220.0
[M+K]+ 488.18472 213.2
[M+H-H2O]+ 432.21882 199.8
[M+HCOO]- 494.21976 227.2
[M+CH3COO]- 508.23541 221.7
[M+Na-2H]- 470.19623 215.7
[M]+ 449.22101 213.7
[M]- 449.22211 213.7
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.