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]+ 293.22238 174.7
[M+Na]+ 315.20432 179.4
[M-H]- 291.20782 182.2
[M+NH4]+ 310.24892 193.1
[M+K]+ 331.17826 180.8
[M+H-H2O]+ 275.21236 167.8
[M+HCOO]- 337.21330 197.2
[M+CH3COO]- 351.22895 214.6
[M+Na-2H]- 313.18977 179.5
[M]+ 292.21455 181.2
[M]- 292.21565 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