CID 4228395

303084-64-2

Structural Information

Molecular Formula
C22H18N2O5
SMILES
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18N2O5/c1-28-20-13-15(14-23-24-21(26)16-8-10-18(25)11-9-16)7-12-19(20)29-22(27)17-5-3-2-4-6-17/h2-14,25H,1H3,(H,24,26)
InChIKey
USCLZAGCXOHFLU-UHFFFAOYSA-N
Compound name
[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12158 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.128856 191.1
[M+Na]+ 413.110798 196.0
[M-H]- 389.114304 200.7
[M+NH4]+ 408.155403 200.8
[M+K]+ 429.084738 192.7
[M+H-H2O]+ 373.118840 180.4
[M+HCOO]- 435.119781 215.4
[M+CH3COO]- 449.135431 223.7
[M+Na-2H]- 411.096246 194.0
[M]+ 390.12103142 193.3
[M]- 390.12212858 193.3
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.