CID 3579207

126651-75-0

Structural Information

Molecular Formula
C10H19N3O3S
SMILES
CCOC(=O)NC(=S)NCCN1CCOCC1
InChI
InChI=1S/C10H19N3O3S/c1-2-16-10(14)12-9(17)11-3-4-13-5-7-15-8-6-13/h2-8H2,1H3,(H2,11,12,14,17)
InChIKey
CUPNKTRFQULWJC-UHFFFAOYSA-N
Compound name
ethyl N-(2-morpholin-4-ylethylcarbamothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11472 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12200 160.5
[M+Na]+ 284.10394 162.8
[M-H]- 260.10744 161.9
[M+NH4]+ 279.14854 174.0
[M+K]+ 300.07788 162.2
[M+H-H2O]+ 244.11198 152.6
[M+HCOO]- 306.11292 174.0
[M+CH3COO]- 320.12857 195.3
[M+Na-2H]- 282.08939 161.8
[M]+ 261.11417 159.4
[M]- 261.11527 159.4
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.