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

2
Patents

247.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 156.0
[M+Na]+ 270.121298 165.5
[M-H]- 246.124804 159.8
[M+NH4]+ 265.165903 171.8
[M+K]+ 286.095238 163.5
[M+H-H2O]+ 230.129340 148.2
[M+HCOO]- 292.130281 174.4
[M+CH3COO]- 306.145931 168.2
[M+Na-2H]- 268.106746 162.7
[M]+ 247.13153142 158.8
[M]- 247.13262858 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.