CID 63151

4(3h)-quinazolinone, 2-((2-imidazolin-2-ylmethyl)thio)-3-phenyl-, monohydrobromide

Structural Information

Molecular Formula
C18H16N4OS
SMILES
C1CN=C(N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C18H16N4OS/c23-17-14-8-4-5-9-15(14)21-18(24-12-16-19-10-11-20-16)22(17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20)
InChIKey
NMIMLUSIPSEHCZ-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11178 176.3
[M+Na]+ 359.09372 192.3
[M+NH4]+ 354.13832 184.1
[M+K]+ 375.06766 183.4
[M-H]- 335.09722 181.0
[M+Na-2H]- 357.07917 185.3
[M]+ 336.10395 180.4
[M]- 336.10505 180.4
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.