CID 59464

Brn 3459670

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CCN(CC)CCN(C1=CC=CC=C1)C(C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C22H30N2O2/c1-4-23(5-2)17-18-24(20-15-11-8-12-16-20)21(22(25)26-6-3)19-13-9-7-10-14-19/h7-16,21H,4-6,17-18H2,1-3H3
InChIKey
SIUZDOUHMHWZHX-UHFFFAOYSA-N
Compound name
ethyl 2-[N-[2-(diethylamino)ethyl]anilino]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 191.4
[M+Na]+ 377.219958 192.5
[M-H]- 353.223464 199.0
[M+NH4]+ 372.264563 203.9
[M+K]+ 393.193898 191.1
[M+H-H2O]+ 337.228000 181.1
[M+HCOO]- 399.228941 214.6
[M+CH3COO]- 413.244591 226.7
[M+Na-2H]- 375.205406 191.8
[M]+ 354.23019142 195.0
[M]- 354.23128858 195.0
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.