CID 9776920

4-(2-(((3,4-dimethoxybenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 2-cl-benzoate

Structural Information

Molecular Formula
C25H22ClN3O6
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C25H22ClN3O6/c1-33-21-12-9-17(13-22(21)34-2)24(31)27-15-23(30)29-28-14-16-7-10-18(11-8-16)35-25(32)19-5-3-4-6-20(19)26/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
InChIKey
VWWYPOHRGVFGIE-CCVNUDIWSA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.11972 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.12700 216.1
[M+Na]+ 518.10894 220.6
[M-H]- 494.11244 226.8
[M+NH4]+ 513.15354 222.9
[M+K]+ 534.08288 217.3
[M+H-H2O]+ 478.11698 205.3
[M+HCOO]- 540.11792 236.9
[M+CH3COO]- 554.13357 246.4
[M+Na-2H]- 516.09439 216.5
[M]+ 495.11917 223.7
[M]- 495.12027 223.7
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.