CID 45054912

2-ethoxy-4-(2-(((3-methylbenzoyl)amino)ac)carbohydrazonoyl)ph 4-methoxybenzoate

Structural Information

Molecular Formula
C27H27N3O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC(=C2)C)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C27H27N3O6/c1-4-35-24-15-19(8-13-23(24)36-27(33)20-9-11-22(34-3)12-10-20)16-29-30-25(31)17-28-26(32)21-7-5-6-18(2)14-21/h5-16H,4,17H2,1-3H3,(H,28,32)(H,30,31)/b29-16+
InChIKey
AYCKNVFSJFYWSE-MUFRIFMGSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.18997 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.197246 218.5
[M+Na]+ 512.179188 221.1
[M-H]- 488.182694 228.7
[M+NH4]+ 507.223793 224.3
[M+K]+ 528.153128 219.0
[M+H-H2O]+ 472.187230 206.2
[M+HCOO]- 534.188171 242.7
[M+CH3COO]- 548.203821 248.9
[M+Na-2H]- 510.164636 218.2
[M]+ 489.18942142 223.8
[M]- 489.19051858 223.8
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.