CID 45054824

4-(2-(2-chlorobenzoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C23H19ClN2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C23H19ClN2O5/c1-29-20-12-9-16(13-21(20)30-2)23(28)31-17-10-7-15(8-11-17)14-25-26-22(27)18-5-3-4-6-19(18)24/h3-14H,1-2H3,(H,26,27)/b25-14+
InChIKey
XAQBAWDTOUEUHP-AFUMVMLFSA-N
Compound name
[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.09824 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.10552 202.6
[M+Na]+ 461.08746 209.3
[M-H]- 437.09096 213.7
[M+NH4]+ 456.13206 212.4
[M+K]+ 477.06140 205.1
[M+H-H2O]+ 421.09550 192.4
[M+HCOO]- 483.09644 223.7
[M+CH3COO]- 497.11209 233.5
[M+Na-2H]- 459.07291 204.2
[M]+ 438.09769 210.1
[M]- 438.09879 210.1
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.