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]+ 277.165906 164.8
[M+Na]+ 299.147848 173.7
[M-H]- 275.151354 170.3
[M+NH4]+ 294.192453 181.5
[M+K]+ 315.121788 173.0
[M+H-H2O]+ 259.155890 157.4
[M+HCOO]- 321.156831 186.6
[M+CH3COO]- 335.172481 177.2
[M+Na-2H]- 297.133296 169.1
[M]+ 276.15808142 170.7
[M]- 276.15917858 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.