CID 2865005

1688-87-5

Structural Information

Molecular Formula
C22H18N2O2S
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2S/c1-26-18-13-11-17(12-14-18)24-21(25)19-9-5-6-10-20(19)23-22(24)27-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKey
HJTLKTBWMVAVFP-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

374.1089 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11618 188.6
[M+Na]+ 397.09812 198.4
[M-H]- 373.10162 196.7
[M+NH4]+ 392.14272 199.2
[M+K]+ 413.07206 190.7
[M+H-H2O]+ 357.10616 177.7
[M+HCOO]- 419.10710 204.2
[M+CH3COO]- 433.12275 198.6
[M+Na-2H]- 395.08357 192.5
[M]+ 374.10835 192.9
[M]- 374.10945 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.