CID 5061851

883795-72-0

Structural Information

Molecular Formula
C9H13N3O3S
SMILES
COCCCNC(=O)C(=O)NC1=NC=CS1
InChI
InChI=1S/C9H13N3O3S/c1-15-5-2-3-10-7(13)8(14)12-9-11-4-6-16-9/h4,6H,2-3,5H2,1H3,(H,10,13)(H,11,12,14)
InChIKey
NWLGDELFWODENJ-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)-N'-(1,3-thiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06776 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.075036 153.6
[M+Na]+ 266.056978 159.2
[M-H]- 242.060484 155.8
[M+NH4]+ 261.101583 171.1
[M+K]+ 282.030918 157.7
[M+H-H2O]+ 226.065020 146.0
[M+HCOO]- 288.065961 173.3
[M+CH3COO]- 302.081611 191.7
[M+Na-2H]- 264.042426 155.0
[M]+ 243.06721142 156.7
[M]- 243.06830858 156.7
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.