CID 482184

Chembl1178209

Structural Information

Molecular Formula
C17H20N3O
SMILES
CCN(CC)C1=CC2=C(C=C1)[O+]=C3C=C(C(=CC3=N2)N)C
InChI
InChI=1S/C17H20N3O/c1-4-20(5-2)12-6-7-16-14(9-12)19-15-10-13(18)11(3)8-17(15)21-16/h6-10H,4-5,18H2,1-3H3/q+1
InChIKey
LUTMNHULMIQHAN-UHFFFAOYSA-N
Compound name
8-N,8-N-diethyl-3-methylphenoxazin-5-ium-2,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.16064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16792 168.3
[M+Na]+ 305.14986 177.8
[M-H]- 281.15336 174.8
[M+NH4]+ 300.19446 183.8
[M+K]+ 321.12380 169.2
[M+H-H2O]+ 265.15790 162.1
[M+HCOO]- 327.15884 190.5
[M+CH3COO]- 341.17449 205.4
[M+Na-2H]- 303.13531 178.5
[M]+ 282.16009 171.6
[M]- 282.16119 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.