CID 9662426

881843-49-8

Structural Information

Molecular Formula
C25H21N5O2
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21N5O2/c1-18-12-14-19(15-13-18)23-20(17-30(29-23)22-10-6-3-7-11-22)16-26-28-25(32)24(31)27-21-8-4-2-5-9-21/h2-17H,1H3,(H,27,31)(H,28,32)/b26-16+
InChIKey
PXEZAUZARJFGJE-WGOQTCKBSA-N
Compound name
N'-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.16953 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.17681 201.4
[M+Na]+ 446.15875 206.0
[M-H]- 422.16225 213.0
[M+NH4]+ 441.20335 209.0
[M+K]+ 462.13269 199.9
[M+H-H2O]+ 406.16679 188.7
[M+HCOO]- 468.16773 226.0
[M+CH3COO]- 482.18338 210.0
[M+Na-2H]- 444.14420 204.0
[M]+ 423.16898 200.8
[M]- 423.17008 200.8
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.