CID 40395

1,3-naphtho(2,3-d)dioxole, 2-(3-(2-(diethylamino)ethylamino)propyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCN(CC)CCNCCCC1(OC2=CC3=CC=CC=C3C=C2O1)C
InChI
InChI=1S/C21H30N2O2/c1-4-23(5-2)14-13-22-12-8-11-21(3)24-19-15-17-9-6-7-10-18(17)16-20(19)25-21/h6-7,9-10,15-16,22H,4-5,8,11-14H2,1-3H3
InChIKey
MLLJGLYCISHRAN-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 186.6
[M+Na]+ 365.219958 191.8
[M-H]- 341.223464 193.4
[M+NH4]+ 360.264563 203.3
[M+K]+ 381.193898 190.2
[M+H-H2O]+ 325.228000 178.9
[M+HCOO]- 387.228941 206.9
[M+CH3COO]- 401.244591 221.8
[M+Na-2H]- 363.205406 192.0
[M]+ 342.23019142 192.3
[M]- 342.23128858 192.3
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.