CID 63825

Brn 0701519

Structural Information

Molecular Formula
C18H18ClN3OS
SMILES
CN(C)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClN3OS/c1-21(2)11-12-24-18-20-16-6-4-3-5-15(16)17(23)22(18)14-9-7-13(19)8-10-14/h3-10H,11-12H2,1-2H3
InChIKey
CSWHYUAWHDWTIM-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.0859 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09318 181.5
[M+Na]+ 382.07512 198.5
[M+NH4]+ 377.11972 190.6
[M+K]+ 398.04906 186.8
[M-H]- 358.07862 187.3
[M+Na-2H]- 380.06057 190.6
[M]+ 359.08535 186.6
[M]- 359.08645 186.6
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.