CID 3046428

62071-44-7

Structural Information

Molecular Formula

C₂₂H₂₉NO₃

SMILES

CC1(CC(C2=C(O1)C=C(C=C2)OCC(CN(C)C)O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29NO3/c1-22(2)13-20(16-8-6-5-7-9-16)19-11-10-18(12-21(19)26-22)25-15-17(24)14-23(3)4/h5-12,17,20,24H,13-15H2,1-4H3

InChIKey

YOKBJTBTRNPNDY-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-3-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 355.21475 Da
Monoisotopic Mass: 3.7
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]+	356.222026	188.6
[M+Na]+	378.203968	193.1
[M-H]-	354.207474	195.9
[M+NH4]+	373.248573	202.5
[M+K]+	394.177908	191.5
[M+H-H2O]+	338.212010	179.8
[M+HCOO]-	400.212951	205.6
[M+CH3COO]-	414.228601	220.2
[M+Na-2H]-	376.189416	191.2
[M]+	355.21420142	190.6
[M]-	355.21529858	190.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe