CID 51060584

Methyl 4-((2-(2-(anilino(oxo)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C24H21N3O5
SMILES
COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C24H21N3O5/c1-31-24(30)18-13-11-17(12-14-18)16-32-21-10-6-5-7-19(21)15-25-27-23(29)22(28)26-20-8-3-2-4-9-20/h2-15H,16H2,1H3,(H,26,28)(H,27,29)/b25-15+
InChIKey
GHQCZSDMKCZKRE-MFKUBSTISA-N
Compound name
methyl 4-[[2-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14813 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.155406 202.4
[M+Na]+ 454.137348 205.0
[M-H]- 430.140854 212.5
[M+NH4]+ 449.181953 210.3
[M+K]+ 470.111288 202.3
[M+H-H2O]+ 414.145390 190.7
[M+HCOO]- 476.146331 227.6
[M+CH3COO]- 490.161981 234.7
[M+Na-2H]- 452.122796 204.8
[M]+ 431.14758142 204.5
[M]- 431.14867858 204.5
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.