CID 9693699

Methyl 4-(2-((3-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C18H17N3O5
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C18H17N3O5/c1-25-15-5-3-4-14(10-15)20-16(22)17(23)21-19-11-12-6-8-13(9-7-12)18(24)26-2/h3-11H,1-2H3,(H,20,22)(H,21,23)/b19-11+
InChIKey
HXUVTWWNEHQEGZ-YBFXNURJSA-N
Compound name
methyl 4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.11682 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12410 181.5
[M+Na]+ 378.10604 185.8
[M-H]- 354.10954 189.4
[M+NH4]+ 373.15064 193.4
[M+K]+ 394.07998 184.6
[M+H-H2O]+ 338.11408 171.7
[M+HCOO]- 400.11502 207.8
[M+CH3COO]- 414.13067 220.9
[M+Na-2H]- 376.09149 184.3
[M]+ 355.11627 184.4
[M]- 355.11737 184.4
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.