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

36
Patents

313.09818 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.105456 172.7
[M+Na]+ 336.087398 183.8
[M-H]- 312.090904 177.8
[M+NH4]+ 331.132003 186.5
[M+K]+ 352.061338 176.7
[M+H-H2O]+ 296.095440 164.0
[M+HCOO]- 358.096381 188.2
[M+CH3COO]- 372.112031 184.0
[M+Na-2H]- 334.072846 176.4
[M]+ 313.09763142 175.2
[M]- 313.09872858 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