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 179.1
[M+Na]+ 363.15017 187.4
[M-H]- 339.15367 182.8
[M+NH4]+ 358.19477 195.0
[M+K]+ 379.12411 180.7
[M+H-H2O]+ 323.15821 169.5
[M+HCOO]- 385.15915 187.9
[M+CH3COO]- 399.17480 188.3
[M+Na-2H]- 361.13562 182.7
[M]+ 340.16040 178.6
[M]- 340.16150 178.6
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.