CID 5924229

Nsc632019

Structural Information

Molecular Formula
C26H23ClN4O6
SMILES
COC1=CC=C(C=C1)C(/C(=N/NC(=O)C(=O)N)/C2=CC=C(C=C2)OC)C3(C4=C(C(=CC=C4)Cl)NC3=O)O
InChI
InChI=1S/C26H23ClN4O6/c1-36-16-10-6-14(7-11-16)20(26(35)18-4-3-5-19(27)22(18)29-25(26)34)21(30-31-24(33)23(28)32)15-8-12-17(37-2)13-9-15/h3-13,20,35H,1-2H3,(H2,28,32)(H,29,34)(H,31,33)/b30-21+
InChIKey
UMXSRMJVZMCNDB-MWAVMZGNSA-N
Compound name
N'-[(Z)-[2-(7-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.1306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.13788 218.4
[M+Na]+ 545.11982 222.9
[M-H]- 521.12332 226.4
[M+NH4]+ 540.16442 226.0
[M+K]+ 561.09376 219.1
[M+H-H2O]+ 505.12786 210.1
[M+HCOO]- 567.12880 232.1
[M+CH3COO]- 581.14445 248.2
[M+Na-2H]- 543.10527 217.1
[M]+ 522.13005 221.3
[M]- 522.13115 221.3
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.