CID 3002936

1-(5-chloro-2-pyridyl)-3-[2-(1-piperidyl)ethyl]thiourea

Structural Information

Molecular Formula
C13H19ClN4S
SMILES
C1CCN(CC1)CCNC(=S)NC2=NC=C(C=C2)Cl
InChI
InChI=1S/C13H19ClN4S/c14-11-4-5-12(16-10-11)17-13(19)15-6-9-18-7-2-1-3-8-18/h4-5,10H,1-3,6-9H2,(H2,15,16,17,19)
InChIKey
KNWUXYBLRXJTEJ-UHFFFAOYSA-N
Compound name
1-(5-chloropyridin-2-yl)-3-(2-piperidin-1-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1019 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10918 165.8
[M+Na]+ 321.09112 170.1
[M-H]- 297.09462 168.4
[M+NH4]+ 316.13572 178.8
[M+K]+ 337.06506 163.9
[M+H-H2O]+ 281.09916 157.4
[M+HCOO]- 343.10010 175.1
[M+CH3COO]- 357.11575 202.4
[M+Na-2H]- 319.07657 167.5
[M]+ 298.10135 163.0
[M]- 298.10245 163.0
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.