CID 165997391

2-{12-[2-(dimethylamino)ethyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine trihydrochloride

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CN(C)CCN1C2=CC3=C(C=C2N=C1CCN)OCO3
InChI
InChI=1S/C14H20N4O2/c1-17(2)5-6-18-11-8-13-12(19-9-20-13)7-10(11)16-14(18)3-4-15/h7-8H,3-6,9,15H2,1-2H3
InChIKey
ONJSIALVMCBAJH-UHFFFAOYSA-N
Compound name
2-[7-[2-(dimethylamino)ethyl]-[1,3]dioxolo[4,5-f]benzimidazol-6-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15863 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 164.8
[M+Na]+ 299.14785 173.7
[M-H]- 275.15135 170.3
[M+NH4]+ 294.19245 181.5
[M+K]+ 315.12179 173.0
[M+H-H2O]+ 259.15589 157.4
[M+HCOO]- 321.15683 186.6
[M+CH3COO]- 335.17248 177.2
[M+Na-2H]- 297.13330 169.1
[M]+ 276.15808 170.7
[M]- 276.15918 170.7
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.