CID 53003

N,n-diethyl-5-nitro-3-phenyl-2-benzofuranmethylamine hydrochloride

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CCN(CC)CC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3/c1-3-20(4-2)13-18-19(14-8-6-5-7-9-14)16-12-15(21(22)23)10-11-17(16)24-18/h5-12H,3-4,13H2,1-2H3
InChIKey
ZYMOJDOBMHRVGW-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(5-nitro-3-phenyl-1-benzofuran-2-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 175.4
[M+Na]+ 347.13662 190.5
[M+NH4]+ 342.18122 184.0
[M+K]+ 363.11056 186.9
[M-H]- 323.14012 183.7
[M+Na-2H]- 345.12207 183.2
[M]+ 324.14685 180.0
[M]- 324.14795 180.0
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.