CID 11674039

7-amino-3-(4-chlorophenyl)-2-isopropyl-3h-quinazolin-4-one

Structural Information

Molecular Formula
C17H16ClN3O
SMILES
CC(C)C1=NC2=C(C=CC(=C2)N)C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN3O/c1-10(2)16-20-15-9-12(19)5-8-14(15)17(22)21(16)13-6-3-11(18)4-7-13/h3-10H,19H2,1-2H3
InChIKey
XBLNKLVBZMWWLK-UHFFFAOYSA-N
Compound name
7-amino-3-(4-chlorophenyl)-2-propan-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

313.09818 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10546 171.9
[M+Na]+ 336.08740 189.1
[M+NH4]+ 331.13200 180.3
[M+K]+ 352.06134 180.4
[M-H]- 312.09090 176.9
[M+Na-2H]- 334.07285 180.5
[M]+ 313.09763 176.2
[M]- 313.09873 176.2
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

patents stripe