CID 40369

2-(2-(diethylamino)ethylaminomethyl)-2-methyl-1,3-benzodioxole dimaleate

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCN(CC)CCNCC1(OC2=CC=CC=C2O1)C
InChI
InChI=1S/C15H24N2O2/c1-4-17(5-2)11-10-16-12-15(3)18-13-8-6-7-9-14(13)19-15/h6-9,16H,4-5,10-12H2,1-3H3
InChIKey
YQSPGNWNYJOZPT-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[(2-methyl-1,3-benzodioxol-2-yl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 164.3
[M+Na]+ 287.17300 169.8
[M-H]- 263.17650 170.7
[M+NH4]+ 282.21760 183.2
[M+K]+ 303.14694 170.2
[M+H-H2O]+ 247.18104 157.8
[M+HCOO]- 309.18198 187.0
[M+CH3COO]- 323.19763 205.2
[M+Na-2H]- 285.15845 171.0
[M]+ 264.18323 168.9
[M]- 264.18433 168.9
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