CID 59710

Brn 3472384

Structural Information

Molecular Formula

C₂₄H₃₄N₂O₂

SMILES

CCCCOC(=O)C(C1=CC=CC=C1)N(CCN(CC)CC)C2=CC=CC=C2

InChI

InChI=1S/C24H34N2O2/c1-4-7-20-28-24(27)23(21-14-10-8-11-15-21)26(19-18-25(5-2)6-3)22-16-12-9-13-17-22/h8-17,23H,4-7,18-20H2,1-3H3

InChIKey

NOXPFLNVDQWPQN-UHFFFAOYSA-N

Compound name

butyl 2-[N-[2-(diethylamino)ethyl]anilino]-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 382.26202 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.269296	200.6
[M+Na]+	405.251238	200.8
[M-H]-	381.254744	207.8
[M+NH4]+	400.295843	211.9
[M+K]+	421.225178	198.9
[M+H-H2O]+	365.259280	189.9
[M+HCOO]-	427.260221	223.1
[M+CH3COO]-	441.275871	232.5
[M+Na-2H]-	403.236686	199.9
[M]+	382.26147142	204.9
[M]-	382.26256858	204.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.