CID 167721867

1-[6-(2-methoxyethyl)-10,13-dioxa-4,6-diazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4,7-tetraen-5-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C13H17N3O3
SMILES
COCCN1C2=CC3=C(C=C2N=C1CN)OCCO3
InChI
InChI=1S/C13H17N3O3/c1-17-3-2-16-10-7-12-11(18-4-5-19-12)6-9(10)15-13(16)8-14/h6-7H,2-5,8,14H2,1H3
InChIKey
GIHGZKPRTXHYFZ-UHFFFAOYSA-N
Compound name
[3-(2-methoxyethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 159.0
[M+Na]+ 286.11620 171.6
[M+NH4]+ 281.16080 166.5
[M+K]+ 302.09014 167.9
[M-H]- 262.11970 163.2
[M+Na-2H]- 284.10165 161.8
[M]+ 263.12643 161.9
[M]- 263.12753 161.9
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.