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 182.3
[M+Na]+ 374.14752 184.8
[M-H]- 350.15102 190.9
[M+NH4]+ 369.19212 194.3
[M+K]+ 390.12146 181.3
[M+H-H2O]+ 334.15556 171.6
[M+HCOO]- 396.15650 205.3
[M+CH3COO]- 410.17215 216.8
[M+Na-2H]- 372.13297 183.6
[M]+ 351.15775 180.7
[M]- 351.15885 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

No patent data available for this compound.