CID 1886786

556821-36-4

Structural Information

Molecular Formula
C25H17ClN2OS
SMILES
C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H17ClN2OS/c26-19-12-14-20(15-13-19)28-24(29)22-10-3-4-11-23(22)27-25(28)30-16-18-8-5-7-17-6-1-2-9-21(17)18/h1-15H,16H2
InChIKey
FHKWDYPDRXTRQT-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.075 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08228 200.4
[M+Na]+ 451.06422 212.7
[M-H]- 427.06772 209.3
[M+NH4]+ 446.10882 210.8
[M+K]+ 467.03816 202.5
[M+H-H2O]+ 411.07226 189.3
[M+HCOO]- 473.07320 211.1
[M+CH3COO]- 487.08885 210.0
[M+Na-2H]- 449.04967 205.5
[M]+ 428.07445 207.0
[M]- 428.07555 207.0
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.