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]+ 355.23802 190.8
[M+Na]+ 377.21996 194.1
[M-H]- 353.22346 199.2
[M+NH4]+ 372.26456 204.1
[M+K]+ 393.19390 192.3
[M+H-H2O]+ 337.22800 180.8
[M+HCOO]- 399.22894 215.0
[M+CH3COO]- 413.24459 228.3
[M+Na-2H]- 375.20541 191.0
[M]+ 354.23019 195.9
[M]- 354.23129 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.