CID 63188

4(3h)-quinazolinone, 7-chloro-2-((3-(dimethylamino)propyl)thio)-3-(3-fluorophenyl)-

Structural Information

Molecular Formula
C19H19ClFN3OS
SMILES
CN(C)CCCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC(=CC=C3)F
InChI
InChI=1S/C19H19ClFN3OS/c1-23(2)9-4-10-26-19-22-17-11-13(20)7-8-16(17)18(25)24(19)15-6-3-5-14(21)12-15/h3,5-8,11-12H,4,9-10H2,1-2H3
InChIKey
SKUYOUUEZLFHQK-UHFFFAOYSA-N
Compound name
7-chloro-2-[3-(dimethylamino)propylsulfanyl]-3-(3-fluorophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.09213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.09941 187.8
[M+Na]+ 414.08135 198.4
[M-H]- 390.08485 193.0
[M+NH4]+ 409.12595 199.9
[M+K]+ 430.05529 190.9
[M+H-H2O]+ 374.08939 177.8
[M+HCOO]- 436.09033 198.6
[M+CH3COO]- 450.10598 197.9
[M+Na-2H]- 412.06680 189.1
[M]+ 391.09158 194.9
[M]- 391.09268 194.9
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.