CID 45055015

765907-97-9

Structural Information

Molecular Formula
C24H20N4O5
SMILES
COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C24H20N4O5/c1-33-24(32)17-13-11-16(12-14-17)15-25-28-23(31)22(30)27-20-10-6-5-9-19(20)21(29)26-18-7-3-2-4-8-18/h2-15H,1H3,(H,26,29)(H,27,30)(H,28,31)/b25-15+
InChIKey
VMYGSUJGTDOHFL-MFKUBSTISA-N
Compound name
methyl 4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.14337 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15065 204.5
[M+Na]+ 467.13259 206.2
[M-H]- 443.13609 214.7
[M+NH4]+ 462.17719 211.4
[M+K]+ 483.10653 204.0
[M+H-H2O]+ 427.14063 192.8
[M+HCOO]- 489.14157 230.0
[M+CH3COO]- 503.15722 239.8
[M+Na-2H]- 465.11804 206.6
[M]+ 444.14282 204.6
[M]- 444.14392 204.6
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.