CID 5469472

Nsc688934

Structural Information

Molecular Formula
C13H15N3O3S
SMILES
C1COCCN1CN2C(=O)/C(=C/C3=CC=CO3)/NC2=S
InChI
InChI=1S/C13H15N3O3S/c17-12-11(8-10-2-1-5-19-10)14-13(20)16(12)9-15-3-6-18-7-4-15/h1-2,5,8H,3-4,6-7,9H2,(H,14,20)/b11-8-
InChIKey
GSXGKNJJORBETF-FLIBITNWSA-N
Compound name
(5Z)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0834 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09068 167.9
[M+Na]+ 316.07262 175.1
[M-H]- 292.07612 173.6
[M+NH4]+ 311.11722 179.9
[M+K]+ 332.04656 172.4
[M+H-H2O]+ 276.08066 160.9
[M+HCOO]- 338.08160 178.0
[M+CH3COO]- 352.09725 177.9
[M+Na-2H]- 314.05807 163.6
[M]+ 293.08285 165.3
[M]- 293.08395 165.3
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.