CID 3008831

1-(1-phenylpropyl)-3-(2-pyridyl)thiourea

Structural Information

Molecular Formula
C15H17N3S
SMILES
CCC(C1=CC=CC=C1)NC(=S)NC2=CC=CC=N2
InChI
InChI=1S/C15H17N3S/c1-2-13(12-8-4-3-5-9-12)17-15(19)18-14-10-6-7-11-16-14/h3-11,13H,2H2,1H3,(H2,16,17,18,19)
InChIKey
UEINEGJMGJGJCQ-UHFFFAOYSA-N
Compound name
1-(1-phenylpropyl)-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.11432 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12160 161.4
[M+Na]+ 294.10354 166.2
[M-H]- 270.10704 166.2
[M+NH4]+ 289.14814 175.9
[M+K]+ 310.07748 161.0
[M+H-H2O]+ 254.11158 152.8
[M+HCOO]- 316.11252 179.2
[M+CH3COO]- 330.12817 200.7
[M+Na-2H]- 292.08899 165.0
[M]+ 271.11377 160.1
[M]- 271.11487 160.1
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

No patent data available for this compound.