CID 372318

Nsc647377

Structural Information

Molecular Formula
C17H26OS2
SMILES
CC12CCCC(C1CCC3=CC4(CCC23)SCCS4)O
InChI
InChI=1S/C17H26OS2/c1-16-7-2-3-15(18)14(16)5-4-12-11-17(8-6-13(12)16)19-9-10-20-17/h11,13-15,18H,2-10H2,1H3
InChIKey
DJORWESWXNGTQA-UHFFFAOYSA-N
Compound name
4a-methylspiro[1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthrene-7,2'-1,3-dithiolane]-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14252 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14980 168.3
[M+Na]+ 333.13174 172.8
[M-H]- 309.13524 171.2
[M+NH4]+ 328.17634 190.8
[M+K]+ 349.10568 167.4
[M+H-H2O]+ 293.13978 163.8
[M+HCOO]- 355.14072 169.2
[M+CH3COO]- 369.15637 176.7
[M+Na-2H]- 331.11719 169.1
[M]+ 310.14197 162.1
[M]- 310.14307 162.1
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.