CID 9588475

Brn 5654521

Structural Information

Molecular Formula
C22H22N4O5
SMILES
CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H22N4O5/c1-14-18(22(28)26-24-14)10-15-4-7-17(8-5-15)31-13-21(27)25-23-12-16-6-9-19(29-2)20(11-16)30-3/h4-12H,13H2,1-3H3,(H,25,27)(H,26,28)/b18-10-,23-12+
InChIKey
CMRWRQQMANGUNC-QWMFIMKVSA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-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

422.15903 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.16631 201.8
[M+Na]+ 445.14825 212.2
[M+NH4]+ 440.19285 205.0
[M+K]+ 461.12219 208.4
[M-H]- 421.15175 204.8
[M+Na-2H]- 443.13370 207.1
[M]+ 422.15848 203.6
[M]- 422.15958 203.6
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.