CID 40393

1,3-benzodioxole, 2-((2-(diethylamino)ethyl)methylamino)ethyl-2-methyl-, dimaleate

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCN(CC)CCN(C)CCC1(OC2=CC=CC=C2O1)C
InChI
InChI=1S/C17H28N2O2/c1-5-19(6-2)14-13-18(4)12-11-17(3)20-15-9-7-8-10-16(15)21-17/h7-10H,5-6,11-14H2,1-4H3
InChIKey
GHHVREHNKJWWDH-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-methyl-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

292.2151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 174.7
[M+Na]+ 315.204318 179.4
[M-H]- 291.207824 182.2
[M+NH4]+ 310.248923 193.1
[M+K]+ 331.178258 180.8
[M+H-H2O]+ 275.212360 167.8
[M+HCOO]- 337.213301 197.2
[M+CH3COO]- 351.228951 214.6
[M+Na-2H]- 313.189766 179.5
[M]+ 292.21455142 181.2
[M]- 292.21564858 181.2
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

patents stripe