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]+ 355.23802 191.4
[M+Na]+ 377.21996 192.5
[M-H]- 353.22346 199.0
[M+NH4]+ 372.26456 203.9
[M+K]+ 393.19390 191.1
[M+H-H2O]+ 337.22800 181.1
[M+HCOO]- 399.22894 214.6
[M+CH3COO]- 413.24459 226.7
[M+Na-2H]- 375.20541 191.8
[M]+ 354.23019 195.0
[M]- 354.23129 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.