CID 45054878

Me 4-(2-((2-((4-ethoxyanilino)carbonyl)anilino)(oxo)ac)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C26H24N4O6
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C26H24N4O6/c1-3-36-20-14-12-19(13-15-20)28-23(31)21-6-4-5-7-22(21)29-24(32)25(33)30-27-16-17-8-10-18(11-9-17)26(34)35-2/h4-16H,3H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)/b27-16+
InChIKey
POQHULCKCQGJIF-JVWAILMASA-N
Compound name
methyl 4-[(E)-[[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.1696 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.17688 215.9
[M+Na]+ 511.15882 217.3
[M-H]- 487.16232 226.1
[M+NH4]+ 506.20342 221.1
[M+K]+ 527.13276 215.7
[M+H-H2O]+ 471.16686 203.7
[M+HCOO]- 533.16780 240.8
[M+CH3COO]- 547.18345 249.2
[M+Na-2H]- 509.14427 216.5
[M]+ 488.16905 218.4
[M]- 488.17015 218.4
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.