CID 40363

1,3-benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethylamino)ethyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C16H25ClN2O2
SMILES
CCN(CC)CCNCCC1(OC2=C(O1)C=C(C=C2)Cl)C
InChI
InChI=1S/C16H25ClN2O2/c1-4-19(5-2)11-10-18-9-8-16(3)20-14-7-6-13(17)12-15(14)21-16/h6-7,12,18H,4-5,8-11H2,1-3H3
InChIKey
SROUPKUQFVTABT-UHFFFAOYSA-N
Compound name
N-[2-(5-chloro-2-methyl-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

312.16046 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16774 174.5
[M+Na]+ 335.14968 185.1
[M+NH4]+ 330.19428 183.9
[M+K]+ 351.12362 178.0
[M-H]- 311.15318 180.0
[M+Na-2H]- 333.13513 178.9
[M]+ 312.15991 177.9
[M]- 312.16101 177.9
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

No patent data available for this compound.