CID 9639279

4-(2-((4-methoxyanilino)(oxo)ac)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C25H23N3O7
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C25H23N3O7/c1-32-19-11-7-18(8-12-19)27-23(29)24(30)28-26-15-16-4-9-20(10-5-16)35-25(31)17-6-13-21(33-2)22(14-17)34-3/h4-15H,1-3H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
UVTGCBGHRJGYAJ-CVKSISIWSA-N
Compound name
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1536 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16088 212.0
[M+Na]+ 500.14282 215.3
[M-H]- 476.14632 222.7
[M+NH4]+ 495.18742 218.3
[M+K]+ 516.11676 214.5
[M+H-H2O]+ 460.15086 199.9
[M+HCOO]- 522.15180 237.1
[M+CH3COO]- 536.16745 244.8
[M+Na-2H]- 498.12827 213.0
[M]+ 477.15305 218.0
[M]- 477.15415 218.0
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.