CID 793656

5579-43-1

Structural Information

Molecular Formula
C13H20N2S
SMILES
C1CCC2(CC1)C3=C(CCCC3)NC(=S)N2
InChI
InChI=1S/C13H20N2S/c16-12-14-11-7-3-2-6-10(11)13(15-12)8-4-1-5-9-13/h1-9H2,(H2,14,15,16)
InChIKey
BNFUEZMEJGCGKN-UHFFFAOYSA-N
Compound name
spiro[1,3,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

0
Patents

236.13472 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14200 153.4
[M+Na]+ 259.12394 157.2
[M-H]- 235.12744 152.4
[M+NH4]+ 254.16854 170.4
[M+K]+ 275.09788 151.1
[M+H-H2O]+ 219.13198 146.2
[M+HCOO]- 281.13292 157.5
[M+CH3COO]- 295.14857 161.4
[M+Na-2H]- 257.10939 155.6
[M]+ 236.13417 141.7
[M]- 236.13527 141.7
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.