CID 1719569

172984-37-1

Structural Information

Molecular Formula
C21H24N2OS
SMILES
CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC=C
InChI
InChI=1S/C21H24N2OS/c1-3-13-25-20-22-18-16-10-6-5-9-15(16)14-21(11-7-4-8-12-21)17(18)19(24)23(20)2/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3
InChIKey
VSIMTUYWVZXNNK-UHFFFAOYSA-N
Compound name
3-methyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.16095 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16823 183.9
[M+Na]+ 375.15017 198.9
[M+NH4]+ 370.19477 194.8
[M+K]+ 391.12411 185.0
[M-H]- 351.15367 188.4
[M+Na-2H]- 373.13562 190.9
[M]+ 352.16040 188.1
[M]- 352.16150 188.1
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.