CID 3121878

303061-28-1

Structural Information

Molecular Formula

C₂₀H₂₁ClN₂O₂

SMILES

CC(C)C1N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=C(O1)C=CC(=C4)Cl

InChI

InChI=1S/C20H21ClN2O2/c1-12(2)20-23-18(16-10-14(21)6-9-19(16)25-20)11-17(22-23)13-4-7-15(24-3)8-5-13/h4-10,12,18,20H,11H2,1-3H3

InChIKey

CYHQCUBKDGXDQN-UHFFFAOYSA-N

Compound name

9-chloro-2-(4-methoxyphenyl)-5-propan-2-yl-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: 356.12915 Da
Monoisotopic Mass: 5.3
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	186.3
[M+Na]+	379.118368	195.7
[M-H]-	355.121874	192.6
[M+NH4]+	374.162973	200.0
[M+K]+	395.092308	190.4
[M+H-H2O]+	339.126410	177.3
[M+HCOO]-	401.127351	196.9
[M+CH3COO]-	415.143001	196.5
[M+Na-2H]-	377.103816	187.0
[M]+	356.12860142	190.6
[M]-	356.12969858	190.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.