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]+ 289.22743 173.6
[M+Na]+ 311.20937 179.7
[M-H]- 287.21287 179.7
[M+NH4]+ 306.25397 191.3
[M+K]+ 327.18331 177.4
[M+H-H2O]+ 271.21741 166.0
[M+HCOO]- 333.21835 198.9
[M+CH3COO]- 347.23400 213.0
[M+Na-2H]- 309.19482 177.8
[M]+ 288.21960 180.1
[M]- 288.22070 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.