CID 63948

91045-37-3

Structural Information

Molecular Formula
C27H25N5O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C4=NC5=CC=CC=C5N4CN6CCOCC6
InChI
InChI=1S/C27H25N5O2/c1-19-28-22-10-4-2-8-20(22)27(33)32(19)24-12-6-3-9-21(24)26-29-23-11-5-7-13-25(23)31(26)18-30-14-16-34-17-15-30/h2-13H,14-18H2,1H3
InChIKey
NBMCWQJVCUMOFJ-UHFFFAOYSA-N
Compound name
2-methyl-3-[2-[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.20084 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.20812 212.3
[M+Na]+ 474.19006 231.8
[M+NH4]+ 469.23466 219.3
[M+K]+ 490.16400 223.7
[M-H]- 450.19356 221.0
[M+Na-2H]- 472.17551 221.7
[M]+ 451.20029 217.9
[M]- 451.20139 217.9
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.