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 177.0
[M+Na]+ 359.09372 187.0
[M-H]- 335.09722 181.5
[M+NH4]+ 354.13832 187.8
[M+K]+ 375.06766 178.7
[M+H-H2O]+ 319.10176 167.1
[M+HCOO]- 381.10270 189.5
[M+CH3COO]- 395.11835 186.6
[M+Na-2H]- 357.07917 179.0
[M]+ 336.10395 177.5
[M]- 336.10505 177.5
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.