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: 497
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	163.5
[M+Na]+	294.16106	163.2
[M-H]-	270.16456	166.7
[M+NH4]+	289.20566	176.2
[M+K]+	310.13500	161.0
[M+H-H2O]+	254.16910	154.9
[M+HCOO]-	316.17004	173.8
[M+CH3COO]-	330.18569	198.2
[M+Na-2H]-	292.14651	164.2
[M]+	271.17129	155.6
[M]-	271.17239	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe