CID 3121955

5-(2,4-dichlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula

C₂₀H₁₄Cl₂N₂OS

SMILES

C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C20H14Cl2N2OS/c21-12-7-8-13(15(22)10-12)20-24-17(14-4-1-2-5-18(14)25-20)11-16(23-24)19-6-3-9-26-19/h1-10,17,20H,11H2

InChIKey

QHOGPGRCYZYVKW-UHFFFAOYSA-N

Compound name

5-(2,4-dichlorophenyl)-2-thiophen-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: 400.0204 Da
Monoisotopic Mass: 6.1
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]+	401.027676	192.9
[M+Na]+	423.009618	205.3
[M-H]-	399.013124	202.7
[M+NH4]+	418.054223	208.0
[M+K]+	438.983558	198.5
[M+H-H2O]+	383.017660	186.0
[M+HCOO]-	445.018601	197.4
[M+CH3COO]-	459.034251	203.5
[M+Na-2H]-	420.995066	190.4
[M]+	400.01985142	199.0
[M]-	400.02094858	199.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.