CID 9588477

Brn 5630869

Structural Information

Molecular Formula
C21H20N4O3
SMILES
CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC=CC=C3
InChI
InChI=1S/C21H20N4O3/c1-14(17-6-4-3-5-7-17)22-24-20(26)13-28-18-10-8-16(9-11-18)12-19-15(2)23-25-21(19)27/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27)/b19-12-,22-14+
InChIKey
JLGRNGVCJDMZBG-WVZZZZASSA-N
Compound name
2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]-N-[(E)-1-phenylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15353 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16081 190.8
[M+Na]+ 399.14275 201.3
[M+NH4]+ 394.18735 195.2
[M+K]+ 415.11669 197.0
[M-H]- 375.14625 194.4
[M+Na-2H]- 397.12820 197.4
[M]+ 376.15298 192.8
[M]- 376.15408 192.8
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.