CID 51060770

4-(2-(anilino(oxo)acetyl)carbohydrazonoyl)phenyl 4-methylbenzoate

Structural Information

Molecular Formula
C23H19N3O4
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C23H19N3O4/c1-16-7-11-18(12-8-16)23(29)30-20-13-9-17(10-14-20)15-24-26-22(28)21(27)25-19-5-3-2-4-6-19/h2-15H,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKey
XALQRXYHKQKPJO-BUVRLJJBSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13754 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14482 196.7
[M+Na]+ 424.12676 208.2
[M+NH4]+ 419.17136 201.9
[M+K]+ 440.10070 201.4
[M-H]- 400.13026 203.0
[M+Na-2H]- 422.11221 206.0
[M]+ 401.13699 199.7
[M]- 401.13809 199.7
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.