CID 5469476

Nsc688939

Structural Information

Molecular Formula
C14H17N3OS2
SMILES
C1CCN(CC1)CN2C(=O)/C(=C/C3=CC=CS3)/NC2=S
InChI
InChI=1S/C14H17N3OS2/c18-13-12(9-11-5-4-8-20-11)15-14(19)17(13)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,15,19)/b12-9-
InChIKey
FHXQLYZETHOSEY-XFXZXTDPSA-N
Compound name
(5Z)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0813 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08858 171.5
[M+Na]+ 330.07052 179.2
[M-H]- 306.07402 175.7
[M+NH4]+ 325.11512 186.4
[M+K]+ 346.04446 172.6
[M+H-H2O]+ 290.07856 164.9
[M+HCOO]- 352.07950 177.6
[M+CH3COO]- 366.09515 180.7
[M+Na-2H]- 328.05597 164.2
[M]+ 307.08075 167.1
[M]- 307.08185 167.1
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.