CID 63805

Brn 0943037

Structural Information

Molecular Formula
C23H17ClN4O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC4=NC5=C(N4)C=C(C=C5)Cl
InChI
InChI=1S/C23H17ClN4O/c24-16-10-11-19-20(14-16)26-21(25-19)12-13-28-22(15-6-2-1-3-7-15)27-18-9-5-4-8-17(18)23(28)29/h1-11,14H,12-13H2,(H,25,26)
InChIKey
GBHXPNSHMMPZET-UHFFFAOYSA-N
Compound name
3-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1091 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11638 196.6
[M+Na]+ 423.09832 208.8
[M-H]- 399.10182 202.1
[M+NH4]+ 418.14292 205.8
[M+K]+ 439.07226 197.9
[M+H-H2O]+ 383.10636 184.2
[M+HCOO]- 445.10730 208.9
[M+CH3COO]- 459.12295 205.6
[M+Na-2H]- 421.08377 200.8
[M]+ 400.10855 200.4
[M]- 400.10965 200.4
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.