CID 3038224

19071-56-8

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CCCCNC(=S)NC(CC1=CC=CC=C1)CO
InChI
InChI=1S/C14H22N2OS/c1-2-3-9-15-14(18)16-13(11-17)10-12-7-5-4-6-8-12/h4-8,13,17H,2-3,9-11H2,1H3,(H2,15,16,18)
InChIKey
SVLWSVPCQWULRE-UHFFFAOYSA-N
Compound name
1-butyl-3-(1-hydroxy-3-phenylpropan-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15258 163.5
[M+Na]+ 289.13452 166.5
[M-H]- 265.13802 164.6
[M+NH4]+ 284.17912 179.0
[M+K]+ 305.10846 162.0
[M+H-H2O]+ 249.14256 156.2
[M+HCOO]- 311.14350 179.8
[M+CH3COO]- 325.15915 198.9
[M+Na-2H]- 287.11997 164.0
[M]+ 266.14475 163.2
[M]- 266.14585 163.2
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.