CID 690268

172984-36-0

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CCSC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42
InChI
InChI=1S/C20H24N2OS/c1-3-24-19-21-17-15-10-6-5-9-14(15)13-20(11-7-4-8-12-20)16(17)18(23)22(19)2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKey
XXKDNASNXOXYRQ-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.16095 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 180.2
[M+Na]+ 363.15017 195.4
[M+NH4]+ 358.19477 191.5
[M+K]+ 379.12411 181.8
[M-H]- 339.15367 185.0
[M+Na-2H]- 361.13562 187.6
[M]+ 340.16040 184.6
[M]- 340.16150 184.6
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.