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]+ 250.19139 161.6
[M+Na]+ 272.17333 167.5
[M-H]- 248.17683 164.4
[M+NH4]+ 267.21793 176.4
[M+K]+ 288.14727 166.4
[M+H-H2O]+ 232.18137 152.5
[M+HCOO]- 294.18231 179.6
[M+CH3COO]- 308.19796 202.4
[M+Na-2H]- 270.15878 167.2
[M]+ 249.18356 163.5
[M]- 249.18466 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.