CID 51060653

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

Structural Information

Molecular Formula
C23H19N3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C23H19N3O5/c1-30-19-13-9-17(10-14-19)23(29)31-20-11-7-16(8-12-20)15-24-26-22(28)21(27)25-18-5-3-2-4-6-18/h2-15H,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKey
OSFMEDLQPGDBCQ-BUVRLJJBSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.13248 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13976 199.3
[M+Na]+ 440.12170 210.3
[M+NH4]+ 435.16630 203.9
[M+K]+ 456.09564 204.1
[M-H]- 416.12520 205.1
[M+Na-2H]- 438.10715 208.1
[M]+ 417.13193 202.1
[M]- 417.13303 202.1
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.