CID 688351

21545-54-0

Structural Information

Molecular Formula

C₁₃H₂₅N₃OS

SMILES

C1CCC(CC1)NC(=S)NCCN2CCOCC2

InChI

InChI=1S/C13H25N3OS/c18-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-17-11-9-16/h12H,1-11H2,(H2,14,15,18)

InChIKey

AKYYGBUVZFGJNI-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-(2-morpholin-4-ylethyl)thiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 454
Patents: 271.17184 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.17912	163.9
[M+Na]+	294.16106	170.7
[M+NH4]+	289.20566	171.7
[M+K]+	310.13500	163.1
[M-H]-	270.16456	168.9
[M+Na-2H]-	292.14651	167.5
[M]+	271.17129	166.3
[M]-	271.17239	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe