CID 2429002

3-amino-1-(1-benzylpiperidin-4-yl)thiourea

Structural Information

Molecular Formula
C13H20N4S
SMILES
C1CN(CCC1NC(=S)NN)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N4S/c14-16-13(18)15-12-6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2,(H2,15,16,18)
InChIKey
BMUIEDMPHSKQQK-UHFFFAOYSA-N
Compound name
1-amino-3-(1-benzylpiperidin-4-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.14087 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14815 158.9
[M+Na]+ 287.13009 167.3
[M+NH4]+ 282.17469 166.9
[M+K]+ 303.10403 159.2
[M-H]- 263.13359 163.8
[M+Na-2H]- 285.11554 165.2
[M]+ 264.14032 161.5
[M]- 264.14142 161.5
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.