CID 9639106

4-(2-(oxo(2-toluidino)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H21N3O5
SMILES
CC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H21N3O5/c1-16-5-3-4-6-21(16)26-22(28)23(29)27-25-15-17-7-11-20(12-8-17)32-24(30)18-9-13-19(31-2)14-10-18/h3-15H,1-2H3,(H,26,28)(H,27,29)/b25-15+
InChIKey
URMBYASFIZXUCR-MFKUBSTISA-N
Compound name
[4-[(E)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
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]+ 432.155406 203.0
[M+Na]+ 454.137348 206.5
[M-H]- 430.140854 213.6
[M+NH4]+ 449.181953 211.2
[M+K]+ 470.111288 203.9
[M+H-H2O]+ 414.145390 191.5
[M+HCOO]- 476.146331 228.3
[M+CH3COO]- 490.161981 236.1
[M+Na-2H]- 452.122796 204.7
[M]+ 431.14758142 205.5
[M]- 431.14867858 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.