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 228.5
[M+Na]+ 559.15878 239.0
[M+NH4]+ 554.20338 231.5
[M+K]+ 575.13272 232.7
[M-H]- 535.16228 236.2
[M+Na-2H]- 557.14423 238.1
[M]+ 536.16901 231.7
[M]- 536.17011 231.7
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.