CID 5902

Camylofine

Structural Information

Molecular Formula

C₁₉H₃₂N₂O₂

SMILES

CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C

InChI

InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3

InChIKey

RYOOHIUJEJZCFT-UHFFFAOYSA-N

Compound name

3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 36
References: 1080
Patents: 320.24637 Da
Monoisotopic Mass: 3.9
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]+	321.25365	183.0
[M+Na]+	343.23559	190.6
[M+NH4]+	338.28019	188.9
[M+K]+	359.20953	184.8
[M-H]-	319.23909	184.9
[M+Na-2H]-	341.22104	186.6
[M]+	320.24582	184.2
[M]-	320.24692	184.2

Literature stripe

literature stripe

Patent stripe

patents stripe