CID 47550

1,3-benzodioxole, 2-(2-(3-(diethylamino)propylamino)ethyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCN(CC)CCCNCCC1(OC2=CC=CC=C2O1)C
InChI
InChI=1S/C17H28N2O2/c1-4-19(5-2)14-8-12-18-13-11-17(3)20-15-9-6-7-10-16(15)21-17/h6-7,9-10,18H,4-5,8,11-14H2,1-3H3
InChIKey
WFDORZLXHNXQQD-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22238 173.6
[M+Na]+ 315.20432 178.2
[M-H]- 291.20782 179.6
[M+NH4]+ 310.24892 191.3
[M+K]+ 331.17826 178.2
[M+H-H2O]+ 275.21236 166.8
[M+HCOO]- 337.21330 195.6
[M+CH3COO]- 351.22895 211.1
[M+Na-2H]- 313.18977 179.3
[M]+ 292.21455 178.9
[M]- 292.21565 178.9
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.