CID 13203534

88809-70-5

Structural Information

Molecular Formula

C₂₂H₂₇N₃O₂

SMILES

CC1(C(=O)N(C2=C(O1)C=CC=N2)C(CN3CCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H27N3O2/c1-22(2)21(26)25(20-19(27-22)12-9-13-23-20)18(17-10-5-3-6-11-17)16-24-14-7-4-8-15-24/h3,5-6,9-13,18H,4,7-8,14-16H2,1-2H3

InChIKey

IKYBCIRZUZHVGE-UHFFFAOYSA-N

Compound name

2,2-dimethyl-4-(1-phenyl-2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 365.21033 Da
Monoisotopic Mass: 3.3
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]+	366.217606	192.3
[M+Na]+	388.199548	196.6
[M-H]-	364.203054	197.6
[M+NH4]+	383.244153	201.0
[M+K]+	404.173488	192.2
[M+H-H2O]+	348.207590	179.3
[M+HCOO]-	410.208531	202.1
[M+CH3COO]-	424.224181	199.4
[M+Na-2H]-	386.184996	194.2
[M]+	365.20978142	187.7
[M]-	365.21087858	187.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.