CID 3053271

4-(3-(p-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylthiomorpholine hydrochloride

Structural Information

Molecular Formula
C20H33NS
SMILES
CC1CN(CC(S1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H33NS/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3
InChIKey
KIBAVGXNVKPICV-UHFFFAOYSA-N
Compound name
4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.23337 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.24065 179.3
[M+Na]+ 342.22259 183.5
[M-H]- 318.22609 183.5
[M+NH4]+ 337.26719 193.5
[M+K]+ 358.19653 178.9
[M+H-H2O]+ 302.23063 171.5
[M+HCOO]- 364.23157 188.4
[M+CH3COO]- 378.24722 211.3
[M+Na-2H]- 340.20804 176.1
[M]+ 319.23282 179.1
[M]- 319.23392 179.1
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.