CID 3050884

Urea, 1-octyl-3-(2-pyridyl)-2-thio-

Structural Information

Molecular Formula
C14H23N3S
SMILES
CCCCCCCCNC(=S)NC1=CC=CC=N1
InChI
InChI=1S/C14H23N3S/c1-2-3-4-5-6-8-12-16-14(18)17-13-10-7-9-11-15-13/h7,9-11H,2-6,8,12H2,1H3,(H2,15,16,17,18)
InChIKey
IGWLHTUUKDBNIX-UHFFFAOYSA-N
Compound name
1-octyl-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.16125 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16853 163.8
[M+Na]+ 288.15047 173.0
[M+NH4]+ 283.19507 171.2
[M+K]+ 304.12441 163.5
[M-H]- 264.15397 166.3
[M+Na-2H]- 286.13592 168.9
[M]+ 265.16070 166.0
[M]- 265.16180 166.0
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.