CID 51060762

881843-48-7

Structural Information

Molecular Formula
C28H27N5O4
SMILES
CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C28H27N5O4/c1-3-17-37-25-13-9-20(10-14-25)26-21(19-33(32-26)23-7-5-4-6-8-23)18-29-31-28(35)27(34)30-22-11-15-24(36-2)16-12-22/h4-16,18-19H,3,17H2,1-2H3,(H,30,34)(H,31,35)/b29-18+
InChIKey
NYIPLTKGXNUDKO-RDRPBHBLSA-N
Compound name
N-(4-methoxyphenyl)-N'-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.2063 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.21358 219.5
[M+Na]+ 520.19552 222.8
[M-H]- 496.19902 230.9
[M+NH4]+ 515.24012 223.9
[M+K]+ 536.16946 218.0
[M+H-H2O]+ 480.20356 206.0
[M+HCOO]- 542.20450 243.3
[M+CH3COO]- 556.22015 248.0
[M+Na-2H]- 518.18097 220.2
[M]+ 497.20575 222.8
[M]- 497.20685 222.8
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.