CID 45054910

4-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)-2-methoxyphenyl 4-methylbenzoate

Structural Information

Molecular Formula
C23H20N2O6
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O)OC
InChI
InChI=1S/C23H20N2O6/c1-14-3-6-16(7-4-14)23(29)31-20-10-5-15(11-21(20)30-2)13-24-25-22(28)18-9-8-17(26)12-19(18)27/h3-13,26-27H,1-2H3,(H,25,28)/b24-13+
InChIKey
GNYKRXVLEJPWLG-ZMOGYAJESA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.13214 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13942 198.5
[M+Na]+ 443.12136 204.0
[M-H]- 419.12486 207.3
[M+NH4]+ 438.16596 206.7
[M+K]+ 459.09530 200.9
[M+H-H2O]+ 403.12940 188.0
[M+HCOO]- 465.13034 221.1
[M+CH3COO]- 479.14599 229.5
[M+Na-2H]- 441.10681 199.2
[M]+ 420.13159 201.6
[M]- 420.13269 201.6
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.