CID 5469483

Nsc688946

Structural Information

Molecular Formula
C14H17N3O2S2
SMILES
CSC1=N/C(=C\C2=CC=CS2)/C(=O)N1CN3CCOCC3
InChI
InChI=1S/C14H17N3O2S2/c1-20-14-15-12(9-11-3-2-8-21-11)13(18)17(14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3/b12-9-
InChIKey
GVSINYPEYJLMHI-XFXZXTDPSA-N
Compound name
(5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07623 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.083506 173.1
[M+Na]+ 346.065448 182.1
[M-H]- 322.068954 179.9
[M+NH4]+ 341.110053 187.1
[M+K]+ 362.039388 178.2
[M+H-H2O]+ 306.073490 166.7
[M+HCOO]- 368.074431 181.6
[M+CH3COO]- 382.090081 183.6
[M+Na-2H]- 344.050896 167.6
[M]+ 323.07568142 174.1
[M]- 323.07677858 174.1
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.