CID 3157032

375829-37-1

Structural Information

Molecular Formula

C₂₂H₂₅N₃O₂

SMILES

CN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=CC=C5O2

InChI

InChI=1S/C22H25N3O2/c1-24-13-11-22(12-14-24)25-20(18-5-3-4-6-21(18)27-22)15-19(23-25)16-7-9-17(26-2)10-8-16/h3-10,20H,11-15H2,1-2H3

InChIKey

LNHDAMUXKOTLNI-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.19467 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]+	364.201946	190.0
[M+Na]+	386.183888	197.2
[M-H]-	362.187394	196.3
[M+NH4]+	381.228493	202.6
[M+K]+	402.157828	192.0
[M+H-H2O]+	346.191930	177.7
[M+HCOO]-	408.192871	201.1
[M+CH3COO]-	422.208521	198.5
[M+Na-2H]-	384.169336	192.0
[M]+	363.19412142	187.3
[M]-	363.19521858	187.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.