CID 722642

57723-02-1

Structural Information

Molecular Formula
C13H19N3OS
SMILES
C1COCCN1CCNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C13H19N3OS/c18-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-17-11-9-16/h1-5H,6-11H2,(H2,14,15,18)
InChIKey
ULYUELUHTXYHQQ-UHFFFAOYSA-N
Compound name
1-(2-morpholin-4-ylethyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

265.12488 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13216 159.8
[M+Na]+ 288.11410 162.6
[M-H]- 264.11760 164.3
[M+NH4]+ 283.15870 173.0
[M+K]+ 304.08804 159.6
[M+H-H2O]+ 248.12214 151.1
[M+HCOO]- 310.12308 174.5
[M+CH3COO]- 324.13873 197.0
[M+Na-2H]- 286.09955 163.3
[M]+ 265.12433 156.0
[M]- 265.12543 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe