CID 51060364

2-methoxy-4-(2-(oxo(3-toluidino)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C26H25N3O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC(=C3)C)OC
InChI
InChI=1S/C26H25N3O6/c1-4-34-21-11-9-19(10-12-21)26(32)35-22-13-8-18(15-23(22)33-3)16-27-29-25(31)24(30)28-20-7-5-6-17(2)14-20/h5-16H,4H2,1-3H3,(H,28,30)(H,29,31)/b27-16+
InChIKey
TXLMQGDTNDTMQB-JVWAILMASA-N
Compound name
[2-methoxy-4-[(E)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.17435 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.18163 215.0
[M+Na]+ 498.16357 225.6
[M+NH4]+ 493.20817 218.5
[M+K]+ 514.13751 219.6
[M-H]- 474.16707 220.3
[M+Na-2H]- 496.14902 222.2
[M]+ 475.17380 217.5
[M]- 475.17490 217.5
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.