CID 199262

3907-64-0

Structural Information

Molecular Formula
C14H21N3S
SMILES
C1CCN(CC1)CC(C2=CC=CC=C2)SC(=N)N
InChI
InChI=1S/C14H21N3S/c15-14(16)18-13(12-7-3-1-4-8-12)11-17-9-5-2-6-10-17/h1,3-4,7-8,13H,2,5-6,9-11H2,(H3,15,16)
InChIKey
VCXNQQXXQRLRFN-UHFFFAOYSA-N
Compound name
(1-phenyl-2-piperidin-1-ylethyl) carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14563 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15291 159.9
[M+Na]+ 286.13485 168.7
[M+NH4]+ 281.17945 168.1
[M+K]+ 302.10879 160.5
[M-H]- 262.13835 164.3
[M+Na-2H]- 284.12030 166.1
[M]+ 263.14508 162.5
[M]- 263.14618 162.5
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.