CID 6479576

1-pyrrolidineacetic acid, (p-phenoxyphenacylidene)hydrazide, hydrochloride

Structural Information

Molecular Formula
C20H21N3O3
SMILES
C1CCN(C1)CC(=O)N/N=C/C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C20H21N3O3/c24-19(14-21-22-20(25)15-23-12-4-5-13-23)16-8-10-18(11-9-16)26-17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13,15H2,(H,22,25)/b21-14+
InChIKey
FORBMCRZERMFBI-KGENOOAVSA-N
Compound name
N-[(E)-[2-oxo-2-(4-phenoxyphenyl)ethylidene]amino]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 184.8
[M+Na]+ 374.14752 194.6
[M+NH4]+ 369.19212 190.8
[M+K]+ 390.12146 189.7
[M-H]- 350.15102 189.7
[M+Na-2H]- 372.13297 192.4
[M]+ 351.15775 187.1
[M]- 351.15885 187.1
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.