CID 63154

Brn 0939986

Structural Information

Molecular Formula
C22H15ClN4O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CC4=NC5=C(N4)C=C(C=C5)Cl
InChI
InChI=1S/C22H15ClN4O/c23-15-10-11-18-19(12-15)25-20(24-18)13-27-21(14-6-2-1-3-7-14)26-17-9-5-4-8-16(17)22(27)28/h1-12H,13H2,(H,24,25)
InChIKey
WMAOGLXDJRNKAE-UHFFFAOYSA-N
Compound name
3-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.09344 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10072 192.3
[M+Na]+ 409.08266 204.9
[M-H]- 385.08616 198.0
[M+NH4]+ 404.12726 202.0
[M+K]+ 425.05660 194.2
[M+H-H2O]+ 369.09070 180.1
[M+HCOO]- 431.09164 205.0
[M+CH3COO]- 445.10729 201.7
[M+Na-2H]- 407.06811 197.0
[M]+ 386.09289 195.8
[M]- 386.09399 195.8
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.