CID 63254

4(3h)-quinazolinone, 3-(o-chlorophenyl)-2-((2-imidazolin-2-ylthio)methyl)-, monohydrobromide

Structural Information

Molecular Formula
C18H15ClN4OS
SMILES
C1CN=C(N1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl
InChI
InChI=1S/C18H15ClN4OS/c19-13-6-2-4-8-15(13)23-16(11-25-18-20-9-10-21-18)22-14-7-3-1-5-12(14)17(23)24/h1-8H,9-11H2,(H,20,21)
InChIKey
PRZUEPMUTWOJIH-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.06552 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07280 183.8
[M+Na]+ 393.05474 201.0
[M+NH4]+ 388.09934 192.0
[M+K]+ 409.02868 191.3
[M-H]- 369.05824 188.6
[M+Na-2H]- 391.04019 192.5
[M]+ 370.06497 188.5
[M]- 370.06607 188.5
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.