CID 5937786

Nsc658283

Structural Information

Molecular Formula
C12H16N2O2S
SMILES
CC1(CC(=O)/C(=C/C2CCNC2=S)/C(=O)N1)C
InChI
InChI=1S/C12H16N2O2S/c1-12(2)6-9(15)8(10(16)14-12)5-7-3-4-13-11(7)17/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H,14,16)/b8-5-
InChIKey
SFOQPFHYQQRLHU-YVMONPNESA-N
Compound name
(3Z)-6,6-dimethyl-3-[(2-sulfanylidenepyrrolidin-3-yl)methylidene]piperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09325 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 158.0
[M+Na]+ 275.08247 165.4
[M-H]- 251.08597 159.1
[M+NH4]+ 270.12707 175.6
[M+K]+ 291.05641 159.5
[M+H-H2O]+ 235.09051 152.7
[M+HCOO]- 297.09145 167.1
[M+CH3COO]- 311.10710 186.3
[M+Na-2H]- 273.06792 154.6
[M]+ 252.09270 151.9
[M]- 252.09380 151.9
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.