CID 165465917

2770368-58-4

Structural Information

Molecular Formula
C15H22N4O2
SMILES
CN(C)CCCN1C2=CC3=C(C=C2N=C1CCN)OCO3
InChI
InChI=1S/C15H22N4O2/c1-18(2)6-3-7-19-12-9-14-13(20-10-21-14)8-11(12)17-15(19)4-5-16/h8-9H,3-7,10,16H2,1-2H3
InChIKey
CVYQUFILVOAVPV-UHFFFAOYSA-N
Compound name
3-[6-(2-aminoethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1743 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18158 169.5
[M+Na]+ 313.16352 177.9
[M-H]- 289.16702 174.9
[M+NH4]+ 308.20812 185.7
[M+K]+ 329.13746 177.0
[M+H-H2O]+ 273.17156 161.9
[M+HCOO]- 335.17250 190.9
[M+CH3COO]- 349.18815 210.3
[M+Na-2H]- 311.14897 173.3
[M]+ 290.17375 175.7
[M]- 290.17485 175.7
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.