CID 6477406

Nsc659116

Structural Information

Molecular Formula
C18H23N3O2S
SMILES
CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)CN3CCCCC3
InChI
InChI=1S/C18H23N3O2S/c1-2-23-15-8-6-14(7-9-15)12-16-17(22)21(18(24)19-16)13-20-10-4-3-5-11-20/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,24)/b16-12-
InChIKey
DOKREOUOMDANDF-VBKFSLOCSA-N
Compound name
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1511 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15838 184.2
[M+Na]+ 368.14032 189.8
[M-H]- 344.14382 187.7
[M+NH4]+ 363.18492 195.0
[M+K]+ 384.11426 182.8
[M+H-H2O]+ 328.14836 175.0
[M+HCOO]- 390.14930 193.0
[M+CH3COO]- 404.16495 206.6
[M+Na-2H]- 366.12577 178.8
[M]+ 345.15055 180.2
[M]- 345.15165 180.2
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.