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

41
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 172.7
[M+Na]+ 336.08740 183.8
[M-H]- 312.09090 177.8
[M+NH4]+ 331.13200 186.5
[M+K]+ 352.06134 176.7
[M+H-H2O]+ 296.09544 164.0
[M+HCOO]- 358.09638 188.2
[M+CH3COO]- 372.11203 184.0
[M+Na-2H]- 334.07285 176.4
[M]+ 313.09763 175.2
[M]- 313.09873 175.2
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