CID 9690948

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

Structural Information

Molecular Formula
C17H15N3O4
SMILES
COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H15N3O4/c1-24-17(23)13-9-7-12(8-10-13)11-18-20-16(22)15(21)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,21)(H,20,22)/b18-11+
InChIKey
UUVJFZGVVXGUDE-WOJGMQOQSA-N
Compound name
methyl 4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10626 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 174.4
[M+Na]+ 348.09548 178.6
[M-H]- 324.09898 182.2
[M+NH4]+ 343.14008 187.4
[M+K]+ 364.06942 176.7
[M+H-H2O]+ 308.10352 165.0
[M+HCOO]- 370.10446 200.9
[M+CH3COO]- 384.12011 214.4
[M+Na-2H]- 346.08093 178.4
[M]+ 325.10571 175.2
[M]- 325.10681 175.2
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.