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]+ 244.07504 153.6
[M+Na]+ 266.05698 159.2
[M-H]- 242.06048 155.8
[M+NH4]+ 261.10158 171.1
[M+K]+ 282.03092 157.7
[M+H-H2O]+ 226.06502 146.0
[M+HCOO]- 288.06596 173.3
[M+CH3COO]- 302.08161 191.7
[M+Na-2H]- 264.04243 155.0
[M]+ 243.06721 156.7
[M]- 243.06831 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.