CID 3002933

1-[2-(1-piperidyl)ethyl]-3-(2-pyridyl)thiourea

Structural Information

Molecular Formula
C13H20N4S
SMILES
C1CCN(CC1)CCNC(=S)NC2=CC=CC=N2
InChI
InChI=1S/C13H20N4S/c18-13(16-12-6-2-3-7-14-12)15-8-11-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-11H2,(H2,14,15,16,18)
InChIKey
CVBVUXCAEGVLCF-UHFFFAOYSA-N
Compound name
1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.14087 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14815 159.0
[M+Na]+ 287.13009 161.9
[M-H]- 263.13359 161.5
[M+NH4]+ 282.17469 172.3
[M+K]+ 303.10403 157.3
[M+H-H2O]+ 247.13813 149.8
[M+HCOO]- 309.13907 173.0
[M+CH3COO]- 323.15472 197.6
[M+Na-2H]- 285.11554 162.0
[M]+ 264.14032 153.9
[M]- 264.14142 153.9
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.