CID 3070868

2h-pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-4-(2-(dimethylamino)ethyl)-2,2-dimethyl-, trihydrochloride

Structural Information

Molecular Formula

C₁₃H₂₁N₃O

SMILES

CC1(CN(C2=C(O1)C=CC=N2)CCN(C)C)C

InChI

InChI=1S/C13H21N3O/c1-13(2)10-16(9-8-15(3)4)12-11(17-13)6-5-7-14-12/h5-7H,8-10H2,1-4H3

InChIKey

WZQROGKXXUTWDS-UHFFFAOYSA-N

Compound name

2-(2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazin-4-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.16846 Da
Monoisotopic Mass: 1.7
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]+	236.175736	155.6
[M+Na]+	258.157678	163.0
[M-H]-	234.161184	159.1
[M+NH4]+	253.202283	173.1
[M+K]+	274.131618	162.5
[M+H-H2O]+	218.165720	147.4
[M+HCOO]-	280.166661	174.0
[M+CH3COO]-	294.182311	199.0
[M+Na-2H]-	256.143126	162.9
[M]+	235.16791142	157.5
[M]-	235.16900858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.