CID 3070379

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

Structural Information

Molecular Formula
C16H25N3O2S
SMILES
CCOCC(CNC(=S)NC1=CC=CC=C1)N2CCOCC2
InChI
InChI=1S/C16H25N3O2S/c1-2-20-13-15(19-8-10-21-11-9-19)12-17-16(22)18-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,17,18,22)
InChIKey
NYYNMBZKFBYYGM-UHFFFAOYSA-N
Compound name
1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.16675 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17403 176.4
[M+Na]+ 346.15597 177.3
[M-H]- 322.15947 180.3
[M+NH4]+ 341.20057 186.9
[M+K]+ 362.12991 174.7
[M+H-H2O]+ 306.16401 167.0
[M+HCOO]- 368.16495 189.2
[M+CH3COO]- 382.18060 209.0
[M+Na-2H]- 344.14142 177.5
[M]+ 323.16620 174.4
[M]- 323.16730 174.4
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.