CID 3002934

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

Structural Information

Molecular Formula
C14H21BrN4S
SMILES
CC1CCCN(C1)CCNC(=S)NC2=NC=C(C=C2)Br
InChI
InChI=1S/C14H21BrN4S/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
BYSUCINJDRRMBH-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.06702 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07430 164.8
[M+Na]+ 379.05624 172.2
[M-H]- 355.05974 170.2
[M+NH4]+ 374.10084 178.9
[M+K]+ 395.03018 158.3
[M+H-H2O]+ 339.06428 162.0
[M+HCOO]- 401.06522 176.6
[M+CH3COO]- 415.08087 211.3
[M+Na-2H]- 377.04169 167.8
[M]+ 356.06647 179.7
[M]- 356.06757 179.7
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.