CID 42962663

1173605-91-8

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CC1CC(CN(C1)C(=NCC2=CC=CO2)SC)C
InChI
InChI=1S/C14H22N2OS/c1-11-7-12(2)10-16(9-11)14(18-3)15-8-13-5-4-6-17-13/h4-6,11-12H,7-10H2,1-3H3
InChIKey
MLNAIGBVMQKLCU-UHFFFAOYSA-N
Compound name
methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1453 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15258 164.3
[M+Na]+ 289.13452 170.1
[M-H]- 265.13802 171.2
[M+NH4]+ 284.17912 181.4
[M+K]+ 305.10846 168.3
[M+H-H2O]+ 249.14256 156.9
[M+HCOO]- 311.14350 180.0
[M+CH3COO]- 325.15915 199.0
[M+Na-2H]- 287.11997 162.9
[M]+ 266.14475 165.2
[M]- 266.14585 165.2
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.