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]+ 326.113536 174.4
[M+Na]+ 348.095478 178.6
[M-H]- 324.098984 182.2
[M+NH4]+ 343.140083 187.4
[M+K]+ 364.069418 176.7
[M+H-H2O]+ 308.103520 165.0
[M+HCOO]- 370.104461 200.9
[M+CH3COO]- 384.120111 214.4
[M+Na-2H]- 346.080926 178.4
[M]+ 325.10571142 175.2
[M]- 325.10680858 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.