CID 103758

2,2-dimethyl-3-(dimethylamino)-4'-(methylsulfonyl)-propiophenone hydrochloride

Structural Information

Molecular Formula
C14H21NO3S
SMILES
CC(C)(CN(C)C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C14H21NO3S/c1-14(2,10-15(3)4)13(16)11-6-8-12(9-7-11)19(5,17)18/h6-9H,10H2,1-5H3
InChIKey
ZEQIJGLBHMQYAC-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2,2-dimethyl-1-(4-methylsulfonylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13148 163.4
[M+Na]+ 306.11342 169.8
[M-H]- 282.11692 168.4
[M+NH4]+ 301.15802 180.1
[M+K]+ 322.08736 168.2
[M+H-H2O]+ 266.12146 157.1
[M+HCOO]- 328.12240 179.5
[M+CH3COO]- 342.13805 204.7
[M+Na-2H]- 304.09887 165.9
[M]+ 283.12365 168.7
[M]- 283.12475 168.7
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.