CID 3070406

N-(3-ethoxy-2-(4-morpholinyl)propyl)-n'-ethylthiourea

Structural Information

Molecular Formula
C12H25N3O2S
SMILES
CCNC(=S)NCC(COCC)N1CCOCC1
InChI
InChI=1S/C12H25N3O2S/c1-3-13-12(18)14-9-11(10-16-4-2)15-5-7-17-8-6-15/h11H,3-10H2,1-2H3,(H2,13,14,18)
InChIKey
ABJMYXJACIVJID-UHFFFAOYSA-N
Compound name
1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.16675 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17403 166.1
[M+Na]+ 298.15597 171.9
[M+NH4]+ 293.20057 172.2
[M+K]+ 314.12991 165.8
[M-H]- 274.15947 168.1
[M+Na-2H]- 296.14142 167.4
[M]+ 275.16620 167.4
[M]- 275.16730 167.4
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.