CID 63489

Brn 0722730

Structural Information

Molecular Formula
C25H21ClN4O
SMILES
CC(C)C(C1=NC2=C(N1)C=C(C=C2)Cl)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H21ClN4O/c1-15(2)22(23-27-20-13-12-17(26)14-21(20)28-23)30-24(16-8-4-3-5-9-16)29-19-11-7-6-10-18(19)25(30)31/h3-15,22H,1-2H3,(H,27,28)
InChIKey
VDCXVJMQTANGBI-UHFFFAOYSA-N
Compound name
3-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.14038 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14766 203.7
[M+Na]+ 451.12960 214.1
[M-H]- 427.13310 209.2
[M+NH4]+ 446.17420 211.5
[M+K]+ 467.10354 204.1
[M+H-H2O]+ 411.13764 191.6
[M+HCOO]- 473.13858 213.5
[M+CH3COO]- 487.15423 211.7
[M+Na-2H]- 449.11505 205.1
[M]+ 428.13983 207.2
[M]- 428.14093 207.2
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.