CID 3022138

Dtxsid101121923

Structural Information

Molecular Formula
C13H19N3OS
SMILES
CCN1C(=CC=C2CCCN2C)C(=O)N(C1=S)C
InChI
InChI=1S/C13H19N3OS/c1-4-16-11(12(17)15(3)13(16)18)8-7-10-6-5-9-14(10)2/h7-8H,4-6,9H2,1-3H3
InChIKey
DNZQZGXRHDMGGN-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12488 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.132156 165.2
[M+Na]+ 288.114098 174.5
[M-H]- 264.117604 168.5
[M+NH4]+ 283.158703 182.9
[M+K]+ 304.088038 169.7
[M+H-H2O]+ 248.122140 158.6
[M+HCOO]- 310.123081 177.8
[M+CH3COO]- 324.138731 195.8
[M+Na-2H]- 286.099546 157.8
[M]+ 265.12433142 164.5
[M]- 265.12542858 164.5
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.