CID 357873

Nsc617407

Structural Information

Molecular Formula
C12H17NO2S2
SMILES
CC1C2C(=C3SCCCS3)CCCN2C(=O)O1
InChI
InChI=1S/C12H17NO2S2/c1-8-10-9(11-16-6-3-7-17-11)4-2-5-13(10)12(14)15-8/h8,10H,2-7H2,1H3
InChIKey
RWGQNALFPBAKMF-UHFFFAOYSA-N
Compound name
8-(1,3-dithian-2-ylidene)-1-methyl-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07007 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07735 158.5
[M+Na]+ 294.05929 164.5
[M-H]- 270.06279 163.8
[M+NH4]+ 289.10389 175.9
[M+K]+ 310.03323 161.3
[M+H-H2O]+ 254.06733 153.5
[M+HCOO]- 316.06827 163.0
[M+CH3COO]- 330.08392 168.7
[M+Na-2H]- 292.04474 155.9
[M]+ 271.06952 154.3
[M]- 271.07062 154.3
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.