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]+ 356.124096 181.5
[M+Na]+ 378.106038 185.8
[M-H]- 354.109544 189.4
[M+NH4]+ 373.150643 193.4
[M+K]+ 394.079978 184.6
[M+H-H2O]+ 338.114080 171.7
[M+HCOO]- 400.115021 207.8
[M+CH3COO]- 414.130671 220.9
[M+Na-2H]- 376.091486 184.3
[M]+ 355.11627142 184.4
[M]- 355.11736858 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.