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]+ 267.152576 164.3
[M+Na]+ 289.134518 170.1
[M-H]- 265.138024 171.2
[M+NH4]+ 284.179123 181.4
[M+K]+ 305.108458 168.3
[M+H-H2O]+ 249.142560 156.9
[M+HCOO]- 311.143501 180.0
[M+CH3COO]- 325.159151 199.0
[M+Na-2H]- 287.119966 162.9
[M]+ 266.14475142 165.2
[M]- 266.14584858 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.