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 165.1
[M+Na]+ 299.14785 173.3
[M-H]- 275.15135 170.1
[M+NH4]+ 294.19245 179.9
[M+K]+ 315.12179 172.4
[M+H-H2O]+ 259.15589 156.6
[M+HCOO]- 321.15683 184.6
[M+CH3COO]- 335.17248 176.8
[M+Na-2H]- 297.13330 171.1
[M]+ 276.15808 168.7
[M]- 276.15918 168.7
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.