CID 5469467

Nsc688929

Structural Information

Molecular Formula
C15H17N3O2S
SMILES
C1COCCN1CN2C(=O)/C(=C/C3=CC=CC=C3)/NC2=S
InChI
InChI=1S/C15H17N3O2S/c19-14-13(10-12-4-2-1-3-5-12)16-15(21)18(14)11-17-6-8-20-9-7-17/h1-5,10H,6-9,11H2,(H,16,21)/b13-10-
InChIKey
KEYLNZPCXRTRHX-RAXLEYEMSA-N
Compound name
(5Z)-5-benzylidene-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10416 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11144 171.5
[M+Na]+ 326.09338 177.9
[M-H]- 302.09688 175.9
[M+NH4]+ 321.13798 182.5
[M+K]+ 342.06732 172.5
[M+H-H2O]+ 286.10142 162.8
[M+HCOO]- 348.10236 180.6
[M+CH3COO]- 362.11801 180.5
[M+Na-2H]- 324.07883 168.6
[M]+ 303.10361 166.7
[M]- 303.10471 166.7
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.