CID 10848254

(1-benzylpiperidin-4-yl)thiourea

Structural Information

Molecular Formula
C13H19N3S
SMILES
C1CN(CCC1NC(=S)N)CC2=CC=CC=C2
InChI
InChI=1S/C13H19N3S/c14-13(17)15-12-6-8-16(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,14,15,17)
InChIKey
XAKQWJCBJYLSBD-UHFFFAOYSA-N
Compound name
(1-benzylpiperidin-4-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

249.12997 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13725 155.9
[M+Na]+ 272.11919 159.6
[M-H]- 248.12269 159.6
[M+NH4]+ 267.16379 171.1
[M+K]+ 288.09313 154.7
[M+H-H2O]+ 232.12723 147.8
[M+HCOO]- 294.12817 170.5
[M+CH3COO]- 308.14382 196.1
[M+Na-2H]- 270.10464 157.0
[M]+ 249.12942 149.8
[M]- 249.13052 149.8
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

patents stripe