CID 120493

2-(diethylamino)-n-(5-isopropyl-2-methylbenzyl)acetamide monohydrochloride

Structural Information

Molecular Formula
C17H28N2O
SMILES
CCN(CC)CC(=O)NCC1=C(C=CC(=C1)C(C)C)C
InChI
InChI=1S/C17H28N2O/c1-6-19(7-2)12-17(20)18-11-16-10-15(13(3)4)9-8-14(16)5/h8-10,13H,6-7,11-12H2,1-5H3,(H,18,20)
InChIKey
MLGZXFIRBNTBHX-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.22015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.227426 171.6
[M+Na]+ 299.209368 175.6
[M-H]- 275.212874 175.9
[M+NH4]+ 294.253973 188.1
[M+K]+ 315.183308 174.1
[M+H-H2O]+ 259.217410 164.0
[M+HCOO]- 321.218351 194.4
[M+CH3COO]- 335.234001 213.3
[M+Na-2H]- 297.194816 171.3
[M]+ 276.21960142 174.3
[M]- 276.22069858 174.3
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.