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]+ 418.139756 198.0
[M+Na]+ 440.121698 201.1
[M-H]- 416.125204 208.4
[M+NH4]+ 435.166303 206.5
[M+K]+ 456.095638 198.5
[M+H-H2O]+ 400.129740 186.5
[M+HCOO]- 462.130681 223.6
[M+CH3COO]- 476.146331 231.8
[M+Na-2H]- 438.107146 200.9
[M]+ 417.13193142 199.8
[M]- 417.13302858 199.8
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.