CID 63735

15589-23-8

Structural Information

Molecular Formula
C19H20ClN3OS
SMILES
CC(CN(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C19H20ClN3OS/c1-13(12-22(2)3)25-19-21-17-11-14(20)9-10-16(17)18(24)23(19)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChIKey
BYYFDPICODWISQ-UHFFFAOYSA-N
Compound name
7-chloro-2-[1-(dimethylamino)propan-2-ylsulfanyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10156 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10884 184.5
[M+Na]+ 396.09078 193.9
[M-H]- 372.09428 190.9
[M+NH4]+ 391.13538 197.0
[M+K]+ 412.06472 187.4
[M+H-H2O]+ 356.09882 175.5
[M+HCOO]- 418.09976 195.4
[M+CH3COO]- 432.11541 194.8
[M+Na-2H]- 394.07623 186.2
[M]+ 373.10101 191.7
[M]- 373.10211 191.7
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.