CID 988141

255865-16-8

Structural Information

Molecular Formula
C20H19ClN2O2S
SMILES
CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H19ClN2O2S/c1-13(2)11-23-19(25)16-5-3-4-6-17(16)22-20(23)26-12-18(24)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3
InChIKey
PQGYPPPTTGUXJJ-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

386.08557 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09285 186.7
[M+Na]+ 409.07479 196.2
[M-H]- 385.07829 191.7
[M+NH4]+ 404.11939 198.2
[M+K]+ 425.04873 188.8
[M+H-H2O]+ 369.08283 178.1
[M+HCOO]- 431.08377 195.3
[M+CH3COO]- 445.09942 218.9
[M+Na-2H]- 407.06024 187.1
[M]+ 386.08502 193.8
[M]- 386.08612 193.8
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.