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 166.7
[M+Na]+ 298.15597 167.9
[M-H]- 274.15947 167.7
[M+NH4]+ 293.20057 179.7
[M+K]+ 314.12991 166.8
[M+H-H2O]+ 258.16401 158.4
[M+HCOO]- 320.16495 179.1
[M+CH3COO]- 334.18060 201.3
[M+Na-2H]- 296.14142 166.9
[M]+ 275.16620 165.8
[M]- 275.16730 165.8
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

patents stripe