CID 9588479

4-(3-methyl-5-oxo-4-pyrazolidenemethyl)phenoxyacetic acid 4-methoxybenzylidenehydrazide

Structural Information

Molecular Formula
C22H22N4O4
SMILES
CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H22N4O4/c1-14(17-6-10-18(29-3)11-7-17)23-25-21(27)13-30-19-8-4-16(5-9-19)12-20-15(2)24-26-22(20)28/h4-12H,13H2,1-3H3,(H,25,27)(H,26,28)/b20-12-,23-14+
InChIKey
WVJAQLVEDSJRRN-BMEHLXHNSA-N
Compound name
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1641 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17138 198.1
[M+Na]+ 429.15332 208.2
[M+NH4]+ 424.19792 201.7
[M+K]+ 445.12726 204.5
[M-H]- 405.15682 201.2
[M+Na-2H]- 427.13877 203.8
[M]+ 406.16355 199.8
[M]- 406.16465 199.8
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.