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 156.0
[M+Na]+ 270.12130 165.5
[M-H]- 246.12480 159.8
[M+NH4]+ 265.16590 171.8
[M+K]+ 286.09524 163.5
[M+H-H2O]+ 230.12934 148.2
[M+HCOO]- 292.13028 174.4
[M+CH3COO]- 306.14593 168.2
[M+Na-2H]- 268.10675 162.7
[M]+ 247.13153 158.8
[M]- 247.13263 158.8
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.