CID 5163887

618443-40-6

Structural Information

Molecular Formula
C16H11Cl2N3O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C16H11Cl2N3O2/c17-10-2-1-3-12(6-10)20-15(22)8-21-9-19-14-5-4-11(18)7-13(14)16(21)23/h1-7,9H,8H2,(H,20,22)
InChIKey
UVQPNEYVTRMHOU-UHFFFAOYSA-N
Compound name
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.02283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.03011 173.9
[M+Na]+ 370.01205 184.9
[M-H]- 346.01555 178.5
[M+NH4]+ 365.05665 186.6
[M+K]+ 385.98599 177.5
[M+H-H2O]+ 330.02009 165.3
[M+HCOO]- 392.02103 185.6
[M+CH3COO]- 406.03668 184.6
[M+Na-2H]- 367.99750 179.3
[M]+ 347.02228 178.6
[M]- 347.02338 178.6
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.