CID 43536

2-(diethylamino)-4'-methyl-n-(2-(o-tolyloxy)ethyl)acetanilide hydrochloride

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CCN(CC)CC(=O)N(CCOC1=CC=CC=C1C)C2=CC=C(C=C2)C
InChI
InChI=1S/C22H30N2O2/c1-5-23(6-2)17-22(25)24(20-13-11-18(3)12-14-20)15-16-26-21-10-8-7-9-19(21)4/h7-14H,5-6,15-17H2,1-4H3
InChIKey
PYSMYDWXPRBBPI-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[2-(2-methylphenoxy)ethyl]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 190.8
[M+Na]+ 377.219958 194.1
[M-H]- 353.223464 199.2
[M+NH4]+ 372.264563 204.1
[M+K]+ 393.193898 192.3
[M+H-H2O]+ 337.228000 180.8
[M+HCOO]- 399.228941 215.0
[M+CH3COO]- 413.244591 228.3
[M+Na-2H]- 375.205406 191.0
[M]+ 354.23019142 195.9
[M]- 354.23128858 195.9
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.