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]+ 267.152576 163.5
[M+Na]+ 289.134518 166.5
[M-H]- 265.138024 164.6
[M+NH4]+ 284.179123 179.0
[M+K]+ 305.108458 162.0
[M+H-H2O]+ 249.142560 156.2
[M+HCOO]- 311.143501 179.8
[M+CH3COO]- 325.159151 198.9
[M+Na-2H]- 287.119966 164.0
[M]+ 266.14475142 163.2
[M]- 266.14584858 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.