CID 24212698

853319-00-3

Structural Information

Molecular Formula
C23H18ClN3O2
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)Cl
InChI
InChI=1S/C23H18ClN3O2/c24-18-10-11-19-21(13-18)25-15-27(23(19)29)14-22(28)26-20-9-5-4-8-17(20)12-16-6-2-1-3-7-16/h1-11,13,15H,12,14H2,(H,26,28)
InChIKey
XQLSJCWOAPOLAY-UHFFFAOYSA-N
Compound name
N-(2-benzylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.10876 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11604 196.2
[M+Na]+ 426.09798 214.6
[M+NH4]+ 421.14258 204.0
[M+K]+ 442.07192 204.0
[M-H]- 402.10148 203.3
[M+Na-2H]- 424.08343 207.3
[M]+ 403.10821 201.4
[M]- 403.10931 201.4
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.