CID 3848193

618443-63-3

Structural Information

Molecular Formula
C17H12Cl3N3O2
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C17H12Cl3N3O2/c1-9-2-3-10(18)6-14(9)22-15(24)7-23-8-21-16-12(17(23)25)4-11(19)5-13(16)20/h2-6,8H,7H2,1H3,(H,22,24)
InChIKey
UKFLWERFSOKEKU-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.9995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.00678 183.6
[M+Na]+ 417.98872 195.7
[M-H]- 393.99222 187.4
[M+NH4]+ 413.03332 195.1
[M+K]+ 433.96266 188.1
[M+H-H2O]+ 377.99676 175.9
[M+HCOO]- 439.99770 189.5
[M+CH3COO]- 454.01335 193.4
[M+Na-2H]- 415.97417 186.0
[M]+ 394.99895 189.7
[M]- 395.00005 189.7
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.