CID 64111

91045-39-5

Structural Information

Molecular Formula
C25H23N5O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C4=NC5=CC=CC=C5N4CN(C)C
InChI
InChI=1S/C25H23N5O/c1-17-26-20-12-6-4-10-18(20)25(31)30(17)22-14-8-5-11-19(22)24-27-21-13-7-9-15-23(21)29(24)16-28(2)3/h4-15H,16H2,1-3H3
InChIKey
SDTQFADTMAEAGN-UHFFFAOYSA-N
Compound name
3-[2-[1-[(dimethylamino)methyl]benzimidazol-2-yl]phenyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.19025 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.19753 203.8
[M+Na]+ 432.17947 214.7
[M-H]- 408.18297 212.5
[M+NH4]+ 427.22407 212.9
[M+K]+ 448.15341 206.6
[M+H-H2O]+ 392.18751 190.7
[M+HCOO]- 454.18845 223.0
[M+CH3COO]- 468.20410 213.3
[M+Na-2H]- 430.16492 207.3
[M]+ 409.18970 208.6
[M]- 409.19080 208.6
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.