CID 3121715

332060-30-7

Structural Information

Molecular Formula

C₁₇H₁₅ClN₂O

SMILES

CC1N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4O1

InChI

InChI=1S/C17H15ClN2O/c1-11-20-16(14-4-2-3-5-17(14)21-11)10-15(19-20)12-6-8-13(18)9-7-12/h2-9,11,16H,10H2,1H3

InChIKey

HURVSIYNNVUDFM-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-5-methyl-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: 298.08728 Da
Monoisotopic Mass: 4.4
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]+	299.094556	169.1
[M+Na]+	321.076498	179.6
[M-H]-	297.080004	175.4
[M+NH4]+	316.121103	185.1
[M+K]+	337.050438	173.7
[M+H-H2O]+	281.084540	160.3
[M+HCOO]-	343.085481	181.6
[M+CH3COO]-	357.101131	180.6
[M+Na-2H]-	319.061946	173.1
[M]+	298.08673142	171.1
[M]-	298.08782858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.