CID 162345340

Ns00132849

Structural Information

Molecular Formula

C₁₅H₁₇ClN₂O₂

SMILES

CC(C)(C)C(=O)C1N2CNC=C2C3=C(O1)C=CC(=C3)Cl

InChI

InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14-18-8-17-7-11(18)10-6-9(16)4-5-12(10)20-14/h4-7,14,17H,8H2,1-3H3

InChIKey

NBRWDJXQBWZNQQ-UHFFFAOYSA-N

Compound name

1-(9-chloro-3,5-dihydro-2H-imidazo[1,5-c][1,3]benzoxazin-5-yl)-2,2-dimethylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.09787 Da
Monoisotopic Mass: 3.8
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]+	293.105146	168.8
[M+Na]+	315.087088	177.8
[M-H]-	291.090594	170.7
[M+NH4]+	310.131693	184.7
[M+K]+	331.061028	173.1
[M+H-H2O]+	275.095130	162.6
[M+HCOO]-	337.096071	177.0
[M+CH3COO]-	351.111721	199.0
[M+Na-2H]-	313.072536	172.3
[M]+	292.09732142	170.2
[M]-	292.09841858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.