CID 9633523

4-(2-((3-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C26H25N3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C26H25N3O6/c1-3-15-34-21-13-9-19(10-14-21)26(32)35-22-11-7-18(8-12-22)17-27-29-25(31)24(30)28-20-5-4-6-23(16-20)33-2/h4-14,16-17H,3,15H2,1-2H3,(H,28,30)(H,29,31)/b27-17+
InChIKey
GUGKPRMURIUPSD-WPWMEQJKSA-N
Compound name
[4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.17435 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.18163 213.8
[M+Na]+ 498.16357 216.1
[M-H]- 474.16707 224.0
[M+NH4]+ 493.20817 220.1
[M+K]+ 514.13751 214.0
[M+H-H2O]+ 458.17161 201.6
[M+HCOO]- 520.17255 238.5
[M+CH3COO]- 534.18820 244.0
[M+Na-2H]- 496.14902 214.8
[M]+ 475.17380 218.3
[M]- 475.17490 218.3
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.