CID 104047

51988-34-2

Structural Information

Molecular Formula

C₂₂H₂₃NO₂

SMILES

CCN(CC)C1=CC2=C(C=C1)C=CC3(O2)C(=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H23NO2/c1-4-23(5-2)19-11-10-17-12-13-22(25-21(17)15-19)16(3)14-18-8-6-7-9-20(18)24-22/h6-15H,4-5H2,1-3H3

InChIKey

WTUILHKBEDHSAX-UHFFFAOYSA-N

Compound name

N,N-diethyl-3'-methyl-2,2'-spirobi[chromene]-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 333.17288 Da
Monoisotopic Mass: 5.2
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]+	334.180156	181.4
[M+Na]+	356.162098	189.1
[M-H]-	332.165604	191.1
[M+NH4]+	351.206703	197.1
[M+K]+	372.136038	187.1
[M+H-H2O]+	316.170140	171.6
[M+HCOO]-	378.171081	199.3
[M+CH3COO]-	392.186731	192.6
[M+Na-2H]-	354.147546	189.1
[M]+	333.17233142	184.2
[M]-	333.17342858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe