CID 49768194

1'-benzyl-6-methoxy-spiro[chromane-2,4'-piperidine]-4-one oxime

Structural Information

Molecular Formula

C₂₁H₂₄N₂O₃

SMILES

COC1=CC\2=C(C=C1)OC3(CCN(CC3)CC4=CC=CC=C4)C/C2=N\O

InChI

InChI=1S/C21H24N2O3/c1-25-17-7-8-20-18(13-17)19(22-24)14-21(26-20)9-11-23(12-10-21)15-16-5-3-2-4-6-16/h2-8,13,24H,9-12,14-15H2,1H3/b22-19+

InChIKey

XABACWGKNRYWAY-ZBJSNUHESA-N

Compound name

(NE)-N-(1'-benzyl-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.17868 Da
Monoisotopic Mass: 3.5
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]+	353.185956	184.3
[M+Na]+	375.167898	189.2
[M-H]-	351.171404	191.8
[M+NH4]+	370.212503	196.8
[M+K]+	391.141838	185.5
[M+H-H2O]+	335.175940	173.2
[M+HCOO]-	397.176881	199.4
[M+CH3COO]-	411.192531	193.1
[M+Na-2H]-	373.153346	189.5
[M]+	352.17813142	180.6
[M]-	352.17922858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.