CID 3023238

Brn 1083159

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCC1C(C2=CC=CC=C2O1)CNCCCN3CCOCC3
InChI
InChI=1S/C18H28N2O2/c1-2-17-16(15-6-3-4-7-18(15)22-17)14-19-8-5-9-20-10-12-21-13-11-20/h3-4,6-7,16-17,19H,2,5,8-14H2,1H3
InChIKey
WIKYYQQXCBSCRU-UHFFFAOYSA-N
Compound name
N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 175.2
[M+Na]+ 327.20432 178.4
[M-H]- 303.20782 180.8
[M+NH4]+ 322.24892 188.3
[M+K]+ 343.17826 176.4
[M+H-H2O]+ 287.21236 166.6
[M+HCOO]- 349.21330 191.2
[M+CH3COO]- 363.22895 206.9
[M+Na-2H]- 325.18977 177.7
[M]+ 304.21455 174.0
[M]- 304.21565 174.0
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.