CID 28316510

2-{6-ethyl-10,13-dioxa-4,6-diazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4,7-tetraen-5-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CCN1C2=CC3=C(C=C2N=C1CCN)OCCO3
InChI
InChI=1S/C13H17N3O2/c1-2-16-10-8-12-11(17-5-6-18-12)7-9(10)15-13(16)3-4-14/h7-8H,2-6,14H2,1H3
InChIKey
AOFFRAIPDDQCGH-UHFFFAOYSA-N
Compound name
2-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 155.8
[M+Na]+ 270.12130 168.9
[M+NH4]+ 265.16590 163.9
[M+K]+ 286.09524 164.7
[M-H]- 246.12480 160.4
[M+Na-2H]- 268.10675 159.1
[M]+ 247.13153 158.9
[M]- 247.13263 158.9
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.