CID 63325

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

Structural Information

Molecular Formula
C18H17ClFN3OS
SMILES
CN(C)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC(=CC=C3)F
InChI
InChI=1S/C18H17ClFN3OS/c1-22(2)8-9-25-18-21-16-10-12(19)6-7-15(16)17(24)23(18)14-5-3-4-13(20)11-14/h3-7,10-11H,8-9H2,1-2H3
InChIKey
DWCNHGOLXASIGJ-UHFFFAOYSA-N
Compound name
7-chloro-2-[2-(dimethylamino)ethylsulfanyl]-3-(3-fluorophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.07648 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08376 183.4
[M+Na]+ 400.06570 194.5
[M-H]- 376.06920 188.8
[M+NH4]+ 395.11030 196.1
[M+K]+ 416.03964 187.2
[M+H-H2O]+ 360.07374 173.6
[M+HCOO]- 422.07468 194.6
[M+CH3COO]- 436.09033 193.9
[M+Na-2H]- 398.05115 185.2
[M]+ 377.07593 190.2
[M]- 377.07703 190.2
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.