CID 3070864

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

Structural Information

Molecular Formula
C12H19N3O
SMILES
CC1CN(C2=C(O1)C=CC=N2)CCN(C)C
InChI
InChI=1S/C12H19N3O/c1-10-9-15(8-7-14(2)3)12-11(16-10)5-4-6-13-12/h4-6,10H,7-9H2,1-3H3
InChIKey
MFSRNUIRTDXABY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

221.15282 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 152.3
[M+Na]+ 244.14204 159.1
[M-H]- 220.14554 155.5
[M+NH4]+ 239.18664 168.3
[M+K]+ 260.11598 158.4
[M+H-H2O]+ 204.15008 143.7
[M+HCOO]- 266.15102 171.0
[M+CH3COO]- 280.16667 196.4
[M+Na-2H]- 242.12749 159.0
[M]+ 221.15227 153.5
[M]- 221.15337 153.5
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.