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]+ 374.108836 185.5
[M+Na]+ 396.090778 196.1
[M-H]- 372.094284 192.1
[M+NH4]+ 391.135383 198.4
[M+K]+ 412.064718 189.1
[M+H-H2O]+ 356.098820 176.5
[M+HCOO]- 418.099761 197.4
[M+CH3COO]- 432.115411 196.2
[M+Na-2H]- 394.076226 187.4
[M]+ 373.10101142 193.6
[M]- 373.10210858 193.6
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.