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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.181576	169.5
[M+Na]+	313.163518	177.9
[M-H]-	289.167024	174.9
[M+NH4]+	308.208123	185.7
[M+K]+	329.137458	177.0
[M+H-H2O]+	273.171560	161.9
[M+HCOO]-	335.172501	190.9
[M+CH3COO]-	349.188151	210.3
[M+Na-2H]-	311.148966	173.3
[M]+	290.17375142	175.7
[M]-	290.17484858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.