CID 45270

Diethylaminoacetyl 2,3,6-trimethylaniline hydrochloride

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCN(CC)CC(=O)NC1=C(C=CC(=C1C)C)C
InChI
InChI=1S/C15H24N2O/c1-6-17(7-2)10-14(18)16-15-12(4)9-8-11(3)13(15)5/h8-9H,6-7,10H2,1-5H3,(H,16,18)
InChIKey
JUQHXWWUIDTRCX-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,3,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.19614 161.4
[M+Na]+ 271.17808 167.6
[M-H]- 247.18158 166.5
[M+NH4]+ 266.22268 179.6
[M+K]+ 287.15202 166.1
[M+H-H2O]+ 231.18612 154.4
[M+HCOO]- 293.18706 185.9
[M+CH3COO]- 307.20271 207.6
[M+Na-2H]- 269.16353 162.8
[M]+ 248.18831 164.5
[M]- 248.18941 164.5
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.