CID 3121861

303060-73-3

Structural Information

Molecular Formula

C₂₃H₂₆N₂O₂

SMILES

COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5CCCCC5

InChI

InChI=1S/C23H26N2O2/c1-26-18-13-11-16(12-14-18)20-15-21-19-9-5-6-10-22(19)27-23(25(21)24-20)17-7-3-2-4-8-17/h5-6,9-14,17,21,23H,2-4,7-8,15H2,1H3

InChIKey

KIXCOVXKIPOHMD-UHFFFAOYSA-N

Compound name

5-cyclohexyl-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.19943 Da
Monoisotopic Mass: 5.7
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]+	363.206706	188.2
[M+Na]+	385.188648	193.1
[M-H]-	361.192154	196.1
[M+NH4]+	380.233253	199.5
[M+K]+	401.162588	188.0
[M+H-H2O]+	345.196690	176.8
[M+HCOO]-	407.197631	200.3
[M+CH3COO]-	421.213281	196.5
[M+Na-2H]-	383.174096	188.5
[M]+	362.19888142	184.3
[M]-	362.19997858	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.