CID 3132840

Gum1 compound

Structural Information

Molecular Formula

C₂₄H₃₃NO₃

SMILES

CCC1(CC(CCO1)(CCNCC2=CC=CC=C2O)C3=CC=CC=C3OC)C

InChI

InChI=1S/C24H33NO3/c1-4-23(2)18-24(14-16-28-23,20-10-6-8-12-22(20)27-3)13-15-25-17-19-9-5-7-11-21(19)26/h5-12,25-26H,4,13-18H2,1-3H3

InChIKey

ZURXJQRDJNACHN-UHFFFAOYSA-N

Compound name

2-[[2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethylamino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 383.24603 Da
Monoisotopic Mass: 5.1
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]+	384.253306	196.0
[M+Na]+	406.235248	199.9
[M-H]-	382.238754	203.9
[M+NH4]+	401.279853	208.9
[M+K]+	422.209188	196.6
[M+H-H2O]+	366.243290	186.6
[M+HCOO]-	428.244231	213.1
[M+CH3COO]-	442.259881	220.2
[M+Na-2H]-	404.220696	199.0
[M]+	383.24548142	195.8
[M]-	383.24657858	195.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.