CID 63328

4(3h)-quinazolinone, 3-(5-chloro-2-methylphenyl)-2-((2-(dimethylamino)ethyl)thio)-

Structural Information

Molecular Formula
C19H20ClN3OS
SMILES
CC1=C(C=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3N=C2SCCN(C)C
InChI
InChI=1S/C19H20ClN3OS/c1-13-8-9-14(20)12-17(13)23-18(24)15-6-4-5-7-16(15)21-19(23)25-11-10-22(2)3/h4-9,12H,10-11H2,1-3H3
InChIKey
ACGHSPRJBQENAU-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10156 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10884 186.8
[M+Na]+ 396.09078 203.8
[M+NH4]+ 391.13538 195.6
[M+K]+ 412.06472 192.1
[M-H]- 372.09428 192.5
[M+Na-2H]- 394.07623 195.3
[M]+ 373.10101 191.9
[M]- 373.10211 191.9
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.