CID 51061080

(4-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C23H19ClN2O5
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)OCC(=O)O)Cl
InChI
InChI=1S/C23H19ClN2O5/c24-19-7-1-17(2-8-19)14-30-21-11-5-18(6-12-21)23(29)26-25-13-16-3-9-20(10-4-16)31-15-22(27)28/h1-13H,14-15H2,(H,26,29)(H,27,28)/b25-13+
InChIKey
NLNBQHFUVGRGBU-DHRITJCHSA-N
Compound name
2-[4-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.09824 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.105516 201.4
[M+Na]+ 461.087458 206.6
[M-H]- 437.090964 210.7
[M+NH4]+ 456.132063 210.1
[M+K]+ 477.061398 201.6
[M+H-H2O]+ 421.095500 191.4
[M+HCOO]- 483.096441 221.0
[M+CH3COO]- 497.112091 230.7
[M+Na-2H]- 459.072906 203.4
[M]+ 438.09769142 206.8
[M]- 438.09878858 206.8
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.