CID 5865924

4-(2-(3,4,5-trimethoxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H21ClN2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClN2O6/c1-30-20-12-17(13-21(31-2)22(20)32-3)23(28)27-26-14-15-4-10-19(11-5-15)33-24(29)16-6-8-18(25)9-7-16/h4-14H,1-3H3,(H,27,28)/b26-14+
InChIKey
NKNYLCNOJZFZDL-VULFUBBASA-N
Compound name
[4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.10883 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.11611 209.4
[M+Na]+ 491.09805 216.1
[M-H]- 467.10155 220.6
[M+NH4]+ 486.14265 218.1
[M+K]+ 507.07199 212.8
[M+H-H2O]+ 451.10609 198.9
[M+HCOO]- 513.10703 230.2
[M+CH3COO]- 527.12268 239.9
[M+Na-2H]- 489.08350 210.0
[M]+ 468.10828 219.0
[M]- 468.10938 219.0
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.