CID 3023237

Brn 1348025

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCC1=C(C2=CC=CC=C2O1)CNCCCN(CC)CC
InChI
InChI=1S/C18H28N2O/c1-4-17-16(15-10-7-8-11-18(15)21-17)14-19-12-9-13-20(5-2)6-3/h7-8,10-11,19H,4-6,9,12-14H2,1-3H3
InChIKey
OKPYFTIPNUYXIL-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 173.6
[M+Na]+ 311.209368 179.7
[M-H]- 287.212874 179.7
[M+NH4]+ 306.253973 191.3
[M+K]+ 327.183308 177.4
[M+H-H2O]+ 271.217410 166.0
[M+HCOO]- 333.218351 198.9
[M+CH3COO]- 347.234001 213.0
[M+Na-2H]- 309.194816 177.8
[M]+ 288.21960142 180.1
[M]- 288.22069858 180.1
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.