CID 3876265

618444-17-0

Structural Information

Molecular Formula
C22H16ClN3O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)Cl
InChI
InChI=1S/C22H16ClN3O3/c23-15-6-11-19-20(12-15)24-14-26(22(19)28)13-21(27)25-16-7-9-18(10-8-16)29-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,25,27)
InChIKey
IGGGBFUOQIQBTP-UHFFFAOYSA-N
Compound name
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.088 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09528 193.8
[M+Na]+ 428.07722 202.6
[M-H]- 404.08072 201.6
[M+NH4]+ 423.12182 202.6
[M+K]+ 444.05116 195.3
[M+H-H2O]+ 388.08526 182.1
[M+HCOO]- 450.08620 209.7
[M+CH3COO]- 464.10185 203.1
[M+Na-2H]- 426.06267 199.2
[M]+ 405.08745 197.7
[M]- 405.08855 197.7
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.