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]+ 325.154676 178.0
[M+Na]+ 347.136618 184.6
[M-H]- 323.140124 187.9
[M+NH4]+ 342.181223 193.0
[M+K]+ 363.110558 178.1
[M+H-H2O]+ 307.144660 174.2
[M+HCOO]- 369.145601 204.1
[M+CH3COO]- 383.161251 209.6
[M+Na-2H]- 345.122066 184.2
[M]+ 324.14685142 182.0
[M]- 324.14794858 182.0
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.