CID 2828837

41504-26-1

Structural Information

Molecular Formula
C12H16N2O2S
SMILES
CCN1C(=O)C(=CC=C2CCCN2C)OC1=S
InChI
InChI=1S/C12H16N2O2S/c1-3-14-11(15)10(16-12(14)17)7-6-9-5-4-8-13(9)2/h6-7H,3-5,8H2,1-2H3
InChIKey
YADMFLGOGVPZGG-UHFFFAOYSA-N
Compound name
3-ethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.09325 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 160.0
[M+Na]+ 275.08247 168.8
[M-H]- 251.08597 165.0
[M+NH4]+ 270.12707 177.9
[M+K]+ 291.05641 165.6
[M+H-H2O]+ 235.09051 154.3
[M+HCOO]- 297.09145 173.6
[M+CH3COO]- 311.10710 191.0
[M+Na-2H]- 273.06792 154.8
[M]+ 252.09270 159.9
[M]- 252.09380 159.9
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

patents stripe