CID 3586228

303059-83-8

Structural Information

Molecular Formula

C₂₃H₂₁BrN₂O

SMILES

CCCC1N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C=CC(=C5)Br

InChI

InChI=1S/C23H21BrN2O/c1-2-5-23-26-21(19-13-18(24)10-11-22(19)27-23)14-20(25-26)17-9-8-15-6-3-4-7-16(15)12-17/h3-4,6-13,21,23H,2,5,14H2,1H3

InChIKey

NHNZGYINCDQNTE-UHFFFAOYSA-N

Compound name

9-bromo-2-naphthalen-2-yl-5-propyl-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: 420.08374 Da
Monoisotopic Mass: 6.6
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]+	421.091016	200.0
[M+Na]+	443.072958	211.0
[M-H]-	419.076464	209.2
[M+NH4]+	438.117563	214.8
[M+K]+	459.046898	198.7
[M+H-H2O]+	403.081000	197.0
[M+HCOO]-	465.081941	212.6
[M+CH3COO]-	479.097591	210.8
[M+Na-2H]-	441.058406	203.2
[M]+	420.08319142	219.0
[M]-	420.08428858	219.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.