CID 3022530

Dtxsid501122797

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CN1CCCC1=CC=C2C(=O)N(C(=S)O2)CC=C
InChI
InChI=1S/C13H16N2O2S/c1-3-8-15-12(16)11(17-13(15)18)7-6-10-5-4-9-14(10)2/h3,6-7H,1,4-5,8-9H2,2H3
InChIKey
MIMXHVDWSFTTPH-UHFFFAOYSA-N
Compound name
5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.100536 163.6
[M+Na]+ 287.082478 172.2
[M-H]- 263.085984 168.4
[M+NH4]+ 282.127083 180.9
[M+K]+ 303.056418 168.2
[M+H-H2O]+ 247.090520 157.8
[M+HCOO]- 309.091461 177.1
[M+CH3COO]- 323.107111 193.2
[M+Na-2H]- 285.067926 157.9
[M]+ 264.09271142 163.1
[M]- 264.09380858 163.1
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.