CID 170455740

3-[carbamoyl-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]amino]prop-2-enamide

Structural Information

Molecular Formula
C8H13N3O4S
SMILES
C1[C@H](O[C@H](S1)CO)N(C=CC(=O)N)C(=O)N
InChI
InChI=1S/C8H13N3O4S/c9-5(13)1-2-11(8(10)14)6-4-16-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,13)(H2,10,14)/t6-,7+/m0/s1
InChIKey
SKNAZKHWLVDOCG-NKWVEPMBSA-N
Compound name
3-[carbamoyl-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]amino]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.06268 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.069956 155.4
[M+Na]+ 270.051898 159.0
[M-H]- 246.055404 158.0
[M+NH4]+ 265.096503 171.4
[M+K]+ 286.025838 158.6
[M+H-H2O]+ 230.059940 148.5
[M+HCOO]- 292.060881 171.7
[M+CH3COO]- 306.076531 195.4
[M+Na-2H]- 268.037346 153.3
[M]+ 247.06213142 153.0
[M]- 247.06322858 153.0
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.