CID 57309047

99474-22-3

Structural Information

Molecular Formula
C19H20N2O3
SMILES
C1CCN(C1)C=CC2=C(C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H20N2O3/c22-21(23)19-14-18(24-15-16-6-2-1-3-7-16)9-8-17(19)10-13-20-11-4-5-12-20/h1-3,6-10,13-14H,4-5,11-12,15H2
InChIKey
RBSQAMXEQLSILC-UHFFFAOYSA-N
Compound name
1-[2-(2-nitro-4-phenylmethoxyphenyl)ethenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

324.1474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 178.4
[M+Na]+ 347.136618 182.0
[M-H]- 323.140124 186.0
[M+NH4]+ 342.181223 191.1
[M+K]+ 363.110558 173.1
[M+H-H2O]+ 307.144660 173.1
[M+HCOO]- 369.145601 200.3
[M+CH3COO]- 383.161251 200.5
[M+Na-2H]- 345.122066 181.4
[M]+ 324.14685142 174.9
[M]- 324.14794858 174.9
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

patents stripe