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]+ 293.22238 173.7
[M+Na]+ 315.20432 179.2
[M-H]- 291.20782 180.1
[M+NH4]+ 310.24892 191.7
[M+K]+ 331.17826 179.2
[M+H-H2O]+ 275.21236 167.2
[M+HCOO]- 337.21330 195.6
[M+CH3COO]- 351.22895 212.4
[M+Na-2H]- 313.18977 178.7
[M]+ 292.21455 179.4
[M]- 292.21565 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