CID 3021110

86422-58-4

Structural Information

Molecular Formula
C27H24N4O6
SMILES
CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H24N4O6/c1-2-35-27(34)24-23(25(32)31(30-24)21-9-5-3-6-10-21)29-28-20-15-13-19(14-16-20)26(33)37-18-17-36-22-11-7-4-8-12-22/h3-16,23H,2,17-18H2,1H3
InChIKey
ZNTJXAOPPBGMTI-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-4-[[4-(2-phenoxyethoxycarbonyl)phenyl]diazenyl]-1-phenyl-4H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.1696 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.17688 218.7
[M+Na]+ 523.15882 230.7
[M+NH4]+ 518.20342 222.2
[M+K]+ 539.13276 226.0
[M-H]- 499.16232 224.7
[M+Na-2H]- 521.14427 227.6
[M]+ 500.16905 221.7
[M]- 500.17015 221.7
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.