CID 40352

1,3-benzodioxole, 2-(2-(2-(dimethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC1(OC2=CC=CC=C2O1)CCNCCN(C)C
InChI
InChI=1S/C14H22N2O2/c1-14(8-9-15-10-11-16(2)3)17-12-6-4-5-7-13(12)18-14/h4-7,15H,8-11H2,1-3H3
InChIKey
MZRIODZAKLENTQ-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 159.4
[M+Na]+ 273.15734 169.3
[M+NH4]+ 268.20194 169.0
[M+K]+ 289.13128 163.4
[M-H]- 249.16084 165.0
[M+Na-2H]- 271.14279 164.6
[M]+ 250.16757 162.5
[M]- 250.16867 162.5
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.