CID 3070866

4h-pyrido(3,2-b)-1,4-oxazine-4-ethanamine, 2,3-dihydro-n,n-diethyl-2-methyl-, trihydrochloride

Structural Information

Molecular Formula
C14H23N3O
SMILES
CCN(CC)CCN1CC(OC2=C1N=CC=C2)C
InChI
InChI=1S/C14H23N3O/c1-4-16(5-2)9-10-17-11-12(3)18-13-7-6-8-15-14(13)17/h6-8,12H,4-5,9-11H2,1-3H3
InChIKey
DXVNTSTVSNDZAZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.18411 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.191386 161.6
[M+Na]+ 272.173328 167.5
[M-H]- 248.176834 164.4
[M+NH4]+ 267.217933 176.4
[M+K]+ 288.147268 166.4
[M+H-H2O]+ 232.181370 152.5
[M+HCOO]- 294.182311 179.6
[M+CH3COO]- 308.197961 202.4
[M+Na-2H]- 270.158776 167.2
[M]+ 249.18356142 163.5
[M]- 249.18465858 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.