CID 58387639

Schembl10446185

Structural Information

Molecular Formula
C17H15Cl2N3O
SMILES
CC(C)C1=NC2=C(C=CC(=C2Cl)N)C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15Cl2N3O/c1-9(2)16-21-15-12(7-8-13(20)14(15)19)17(23)22(16)11-5-3-10(18)4-6-11/h3-9H,20H2,1-2H3
InChIKey
KVPDVXGLZNHXJL-UHFFFAOYSA-N
Compound name
7-amino-8-chloro-3-(4-chlorophenyl)-2-propan-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

347.0592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06648 178.1
[M+Na]+ 370.04842 190.3
[M-H]- 346.05192 182.6
[M+NH4]+ 365.09302 191.2
[M+K]+ 386.02236 182.4
[M+H-H2O]+ 330.05646 170.0
[M+HCOO]- 392.05740 188.4
[M+CH3COO]- 406.07305 188.8
[M+Na-2H]- 368.03387 180.3
[M]+ 347.05865 182.3
[M]- 347.05975 182.3
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