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 158.4
[M+Na]+ 286.11620 167.8
[M-H]- 262.11970 162.2
[M+NH4]+ 281.16080 173.5
[M+K]+ 302.09014 166.4
[M+H-H2O]+ 246.12424 150.5
[M+HCOO]- 308.12518 177.1
[M+CH3COO]- 322.14083 170.5
[M+Na-2H]- 284.10165 165.3
[M]+ 263.12643 162.7
[M]- 263.12753 162.7
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.