CID 206654

28358-28-3

Structural Information

Molecular Formula
C16H24N2OS
SMILES
CCC1=C(SC2=NC3(CCCC3C4(N12)CCCC4)O)C
InChI
InChI=1S/C16H24N2OS/c1-3-12-11(2)20-14-17-16(19)10-6-7-13(16)15(18(12)14)8-4-5-9-15/h13,19H,3-10H2,1-2H3
InChIKey
OARHMGNCVQIGOD-UHFFFAOYSA-N
Compound name
12-ethyl-11-methylspiro[10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-8,11-diene-2,1'-cyclopentane]-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16823 170.8
[M+Na]+ 315.15017 179.9
[M-H]- 291.15367 174.7
[M+NH4]+ 310.19477 195.8
[M+K]+ 331.12411 175.5
[M+H-H2O]+ 275.15821 166.3
[M+HCOO]- 337.15915 181.1
[M+CH3COO]- 351.17480 181.7
[M+Na-2H]- 313.13562 168.4
[M]+ 292.16040 170.3
[M]- 292.16150 170.3
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.