CID 49768197

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

Structural Information

Molecular Formula

C₂₀H₂₁ClN₂O₂

SMILES

C1CN(CCC12C/C(=N\O)/C3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN2O2/c21-16-6-7-19-17(12-16)18(22-24)13-20(25-19)8-10-23(11-9-20)14-15-4-2-1-3-5-15/h1-7,12,24H,8-11,13-14H2/b22-18+

InChIKey

XGSNLKRZZFXCNI-RELWKKBWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.12915 Da
Monoisotopic Mass: 4.2
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]+	357.136426	184.0
[M+Na]+	379.118368	190.4
[M-H]-	355.121874	191.5
[M+NH4]+	374.162973	197.5
[M+K]+	395.092308	184.7
[M+H-H2O]+	339.126410	173.9
[M+HCOO]-	401.127351	194.9
[M+CH3COO]-	415.143001	193.1
[M+Na-2H]-	377.103816	189.1
[M]+	356.12860142	181.0
[M]-	356.12969858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.