CID 3024024

Brn 1289631

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCC1C(C2=CC=CC=C2O1)CNCCCN(CC)CC
InChI
InChI=1S/C18H30N2O/c1-4-17-16(15-10-7-8-11-18(15)21-17)14-19-12-9-13-20(5-2)6-3/h7-8,10-11,16-17,19H,4-6,9,12-14H2,1-3H3
InChIKey
GYUUYTZOCAZVFH-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 175.4
[M+Na]+ 313.22502 179.4
[M-H]- 289.22852 180.7
[M+NH4]+ 308.26962 192.8
[M+K]+ 329.19896 177.5
[M+H-H2O]+ 273.23306 167.9
[M+HCOO]- 335.23400 197.8
[M+CH3COO]- 349.24965 213.6
[M+Na-2H]- 311.21047 177.8
[M]+ 290.23525 179.1
[M]- 290.23635 179.1
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.