CID 19659941

2-methoxy-4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C24H21N3O5
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C24H21N3O5/c1-16-8-11-19(12-9-16)26-22(28)23(29)27-25-15-17-10-13-20(21(14-17)31-2)32-24(30)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,28)(H,27,29)/b25-15+
InChIKey
LIMCTOLIAPSIDH-MFKUBSTISA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14813 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15541 203.0
[M+Na]+ 454.13735 206.5
[M-H]- 430.14085 213.6
[M+NH4]+ 449.18195 211.2
[M+K]+ 470.11129 203.9
[M+H-H2O]+ 414.14539 191.5
[M+HCOO]- 476.14633 228.3
[M+CH3COO]- 490.16198 236.1
[M+Na-2H]- 452.12280 204.7
[M]+ 431.14758 205.5
[M]- 431.14868 205.5
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.