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]+ 343.23802 186.6
[M+Na]+ 365.21996 191.8
[M-H]- 341.22346 193.4
[M+NH4]+ 360.26456 203.3
[M+K]+ 381.19390 190.2
[M+H-H2O]+ 325.22800 178.9
[M+HCOO]- 387.22894 206.9
[M+CH3COO]- 401.24459 221.8
[M+Na-2H]- 363.20541 192.0
[M]+ 342.23019 192.3
[M]- 342.23129 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.