CID 6479570

1-pyrrolidineacetic acid, (p-phenylphenacylidene)hydrazide

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1CCN(C1)CC(=O)N/N=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c24-19(14-21-22-20(25)15-23-12-4-5-13-23)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13,15H2,(H,22,25)/b21-14+
InChIKey
JYDFWZCRSPGSEO-KGENOOAVSA-N
Compound name
N-[(E)-[2-oxo-2-(4-phenylphenyl)ethylidene]amino]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.170676 179.8
[M+Na]+ 358.152618 182.6
[M-H]- 334.156124 188.5
[M+NH4]+ 353.197223 192.6
[M+K]+ 374.126558 178.3
[M+H-H2O]+ 318.160660 169.3
[M+HCOO]- 380.161601 202.6
[M+CH3COO]- 394.177251 214.7
[M+Na-2H]- 356.138066 181.0
[M]+ 335.16285142 176.9
[M]- 335.16394858 176.9
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

No patent data available for this compound.