CID 45054922

4-(2-((2-(anilinocarbonyl)anilino)(oxo)ac)carbohydrazonoyl)-2-meo-ph benzoate

Structural Information

Molecular Formula
C30H24N4O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H24N4O6/c1-39-26-18-20(16-17-25(26)40-30(38)21-10-4-2-5-11-21)19-31-34-29(37)28(36)33-24-15-9-8-14-23(24)27(35)32-22-12-6-3-7-13-22/h2-19H,1H3,(H,32,35)(H,33,36)(H,34,37)/b31-19+
InChIKey
RENXLVHSKGGWDV-ZCTHSVRISA-N
Compound name
[2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.16956 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.17684 226.4
[M+Na]+ 559.15878 226.8
[M-H]- 535.16228 239.0
[M+NH4]+ 554.20338 228.7
[M+K]+ 575.13272 224.5
[M+H-H2O]+ 519.16682 212.7
[M+HCOO]- 581.16776 250.6
[M+CH3COO]- 595.18341 256.9
[M+Na-2H]- 557.14423 227.8
[M]+ 536.16901 227.3
[M]- 536.17011 227.3
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.