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]+ 325.15468 177.2
[M+Na]+ 347.13662 190.7
[M+NH4]+ 342.18122 184.8
[M+K]+ 363.11056 186.6
[M-H]- 323.14012 183.6
[M+Na-2H]- 345.12207 185.3
[M]+ 324.14685 180.7
[M]- 324.14795 180.7
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