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 160.2
[M+Na]+ 286.13485 162.2
[M-H]- 262.13835 163.3
[M+NH4]+ 281.17945 174.3
[M+K]+ 302.10879 157.6
[M+H-H2O]+ 246.14289 151.8
[M+HCOO]- 308.14383 173.4
[M+CH3COO]- 322.15948 198.8
[M+Na-2H]- 284.12030 160.4
[M]+ 263.14508 153.4
[M]- 263.14618 153.4
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.