CID 3047736

Brn 1347288

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCC1=C(C2=CC=CC=C2O1)CNCCN(CC)CC
InChI
InChI=1S/C17H26N2O/c1-4-16-15(13-18-11-12-19(5-2)6-3)14-9-7-8-10-17(14)20-16/h7-10,18H,4-6,11-13H2,1-3H3
InChIKey
BWRCZMAUFQAWQJ-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 168.8
[M+Na]+ 297.193718 175.4
[M-H]- 273.197224 175.1
[M+NH4]+ 292.238323 187.2
[M+K]+ 313.167658 173.4
[M+H-H2O]+ 257.201760 161.4
[M+HCOO]- 319.202701 194.5
[M+CH3COO]- 333.218351 210.0
[M+Na-2H]- 295.179166 173.6
[M]+ 274.20395142 175.1
[M]- 274.20504858 175.1
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.