CID 40371

Lr 359

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCN(CC)CCNCCC1(OC2=CC=CC=C2O1)C
InChI
InChI=1S/C16H26N2O2/c1-4-18(5-2)13-12-17-11-10-16(3)19-14-8-6-7-9-15(14)20-16/h6-9,17H,4-5,10-13H2,1-3H3
InChIKey
HNHXXRVYNWQTLJ-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.206706 169.0
[M+Na]+ 301.188648 174.0
[M-H]- 277.192154 175.2
[M+NH4]+ 296.233253 187.3
[M+K]+ 317.162588 174.2
[M+H-H2O]+ 261.196690 162.3
[M+HCOO]- 323.197631 191.3
[M+CH3COO]- 337.213281 208.2
[M+Na-2H]- 299.174096 175.2
[M]+ 278.19888142 173.9
[M]- 278.19997858 173.9
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.