CID 9588478

Brn 5638884

Structural Information

Molecular Formula
C22H22N4O3
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=NNC3=O)C)/C
InChI
InChI=1S/C22H22N4O3/c1-14-4-8-18(9-5-14)15(2)23-25-21(27)13-29-19-10-6-17(7-11-19)12-20-16(3)24-26-22(20)28/h4-12H,13H2,1-3H3,(H,25,27)(H,26,28)/b20-12-,23-15+
InChIKey
OTLFCNKGUKWQIG-ZGTWPYMLSA-N
Compound name
2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1692 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17648 194.7
[M+Na]+ 413.15842 200.0
[M-H]- 389.16192 202.0
[M+NH4]+ 408.20302 204.1
[M+K]+ 429.13236 194.4
[M+H-H2O]+ 373.16646 184.0
[M+HCOO]- 435.16740 215.8
[M+CH3COO]- 449.18305 225.2
[M+Na-2H]- 411.14387 193.6
[M]+ 390.16865 194.5
[M]- 390.16975 194.5
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.