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]+ 275.21178 168.8
[M+Na]+ 297.19372 175.4
[M-H]- 273.19722 175.1
[M+NH4]+ 292.23832 187.2
[M+K]+ 313.16766 173.4
[M+H-H2O]+ 257.20176 161.4
[M+HCOO]- 319.20270 194.5
[M+CH3COO]- 333.21835 210.0
[M+Na-2H]- 295.17917 173.6
[M]+ 274.20395 175.1
[M]- 274.20505 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.