CID 926140

Piperidine, 1-(3,4,5-trimethoxythiobenzoyl)-

Structural Information

Molecular Formula
C15H21NO3S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=S)N2CCCCC2
InChI
InChI=1S/C15H21NO3S/c1-17-12-9-11(10-13(18-2)14(12)19-3)15(20)16-7-5-4-6-8-16/h9-10H,4-8H2,1-3H3
InChIKey
DZONZMFNXDUNNX-UHFFFAOYSA-N
Compound name
piperidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.131476 167.5
[M+Na]+ 318.113418 173.3
[M-H]- 294.116924 172.3
[M+NH4]+ 313.158023 182.1
[M+K]+ 334.087358 170.4
[M+H-H2O]+ 278.121460 159.6
[M+HCOO]- 340.122401 180.7
[M+CH3COO]- 354.138051 201.3
[M+Na-2H]- 316.098866 166.3
[M]+ 295.12365142 169.6
[M]- 295.12474858 169.6
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.