CID 40375

1,3-benzodioxole, 2-(2-(2-(diethylamino)ethylamino)ethyl)-2,5-dimethyl-, dimaleate

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCN(CC)CCNCCC1(OC2=C(O1)C=C(C=C2)C)C
InChI
InChI=1S/C17H28N2O2/c1-5-19(6-2)12-11-18-10-9-17(4)20-15-8-7-14(3)13-16(15)21-17/h7-8,13,18H,5-6,9-12H2,1-4H3
InChIKey
OALXBICFBHRQFM-UHFFFAOYSA-N
Compound name
N-[2-(2,5-dimethyl-1,3-benzodioxol-2-yl)ethyl]-N',N'-diethylethane-1,2-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]+ 293.222376 173.7
[M+Na]+ 315.204318 179.2
[M-H]- 291.207824 180.1
[M+NH4]+ 310.248923 191.7
[M+K]+ 331.178258 179.2
[M+H-H2O]+ 275.212360 167.2
[M+HCOO]- 337.213301 195.6
[M+CH3COO]- 351.228951 212.4
[M+Na-2H]- 313.189766 178.7
[M]+ 292.21455142 179.4
[M]- 292.21564858 179.4
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