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 158.3
[M+Na]+ 287.13009 161.2
[M-H]- 263.13359 161.9
[M+NH4]+ 282.17469 172.5
[M+K]+ 303.10403 156.3
[M+H-H2O]+ 247.13813 149.8
[M+HCOO]- 309.13907 173.8
[M+CH3COO]- 323.15472 200.6
[M+Na-2H]- 285.11554 160.2
[M]+ 264.14032 151.4
[M]- 264.14142 151.4
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.