CID 3070858

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

Structural Information

Molecular Formula
C13H21N3O
SMILES
CCN(CC)CCN1CCOC2=C1N=CC=C2
InChI
InChI=1S/C13H21N3O/c1-3-15(4-2)8-9-16-10-11-17-12-6-5-7-14-13(12)16/h5-7H,3-4,8-11H2,1-2H3
InChIKey
RCQGFJFYLWFNOZ-UHFFFAOYSA-N
Compound name
2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.16846 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.17574 156.5
[M+Na]+ 258.15768 161.8
[M-H]- 234.16118 159.1
[M+NH4]+ 253.20228 171.5
[M+K]+ 274.13162 161.0
[M+H-H2O]+ 218.16572 147.3
[M+HCOO]- 280.16666 174.8
[M+CH3COO]- 294.18231 198.2
[M+Na-2H]- 256.14313 163.4
[M]+ 235.16791 157.6
[M]- 235.16901 157.6
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.