CID 3017531

64617-11-4

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
CCN1CCCC1=CC=C2C(=O)N(C(=S)O2)CC
InChI
InChI=1S/C13H18N2O2S/c1-3-14-9-5-6-10(14)7-8-11-12(16)15(4-2)13(18)17-11/h7-8H,3-6,9H2,1-2H3
InChIKey
DECLZXRSXROLLJ-UHFFFAOYSA-N
Compound name
3-ethyl-5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1089 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116176 164.3
[M+Na]+ 289.098118 172.7
[M-H]- 265.101624 169.2
[M+NH4]+ 284.142723 181.7
[M+K]+ 305.072058 169.3
[M+H-H2O]+ 249.106160 158.5
[M+HCOO]- 311.107101 177.6
[M+CH3COO]- 325.122751 194.0
[M+Na-2H]- 287.083566 158.6
[M]+ 266.10835142 164.6
[M]- 266.10944858 164.6
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.