CID 28316660

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

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CN(C)CCN1C2=CC3=C(C=C2N=C1CN)OCCO3
InChI
InChI=1S/C14H20N4O2/c1-17(2)3-4-18-11-8-13-12(19-5-6-20-13)7-10(11)16-14(18)9-15/h7-8H,3-6,9,15H2,1-2H3
InChIKey
HEZBYQNIZLZOGY-UHFFFAOYSA-N
Compound name
2-[2-(aminomethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15863 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 164.4
[M+Na]+ 299.14785 176.2
[M+NH4]+ 294.19245 172.0
[M+K]+ 315.12179 172.6
[M-H]- 275.15135 169.6
[M+Na-2H]- 297.13330 167.4
[M]+ 276.15808 167.4
[M]- 276.15918 167.4
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.