CID 3002937

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

Structural Information

Molecular Formula
C14H21ClN4S
SMILES
CC1CCCN(C1)CCNC(=S)NC2=NC=C(C=C2)Cl
InChI
InChI=1S/C14H21ClN4S/c1-11-3-2-7-19(10-11)8-6-16-14(20)18-13-5-4-12(15)9-17-13/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,16,17,18,20)
InChIKey
PROGFIVHEOGVID-UHFFFAOYSA-N
Compound name
1-(5-chloropyridin-2-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.11755 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12483 170.9
[M+Na]+ 335.10677 175.6
[M-H]- 311.11027 173.7
[M+NH4]+ 330.15137 183.6
[M+K]+ 351.08071 169.2
[M+H-H2O]+ 295.11481 162.5
[M+HCOO]- 357.11575 179.8
[M+CH3COO]- 371.13140 206.5
[M+Na-2H]- 333.09222 171.3
[M]+ 312.11700 168.8
[M]- 312.11810 168.8
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.