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

12
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 178.4
[M+Na]+ 347.13662 182.0
[M-H]- 323.14012 186.0
[M+NH4]+ 342.18122 191.1
[M+K]+ 363.11056 173.1
[M+H-H2O]+ 307.14466 173.1
[M+HCOO]- 369.14560 200.3
[M+CH3COO]- 383.16125 200.5
[M+Na-2H]- 345.12207 181.4
[M]+ 324.14685 174.9
[M]- 324.14795 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