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 214.5
[M+Na]+ 498.16357 217.6
[M-H]- 474.16707 225.0
[M+NH4]+ 493.20817 221.0
[M+K]+ 514.13751 215.7
[M+H-H2O]+ 458.17161 202.4
[M+HCOO]- 520.17255 239.1
[M+CH3COO]- 534.18820 245.4
[M+Na-2H]- 496.14902 214.6
[M]+ 475.17380 219.4
[M]- 475.17490 219.4
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.