CID 9627611

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

Structural Information

Molecular Formula
C23H20N2O7
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O)OC
InChI
InChI=1S/C23H20N2O7/c1-30-20-10-5-15(11-21(20)31-2)23(29)32-17-7-3-14(4-8-17)13-24-25-22(28)18-9-6-16(26)12-19(18)27/h3-13,26-27H,1-2H3,(H,25,28)/b24-13+
InChIKey
SYWQFNPAVFLBGJ-ZMOGYAJESA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.12704 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.13432 200.7
[M+Na]+ 459.11626 205.7
[M-H]- 435.11976 209.4
[M+NH4]+ 454.16086 208.0
[M+K]+ 475.09020 203.6
[M+H-H2O]+ 419.12430 189.8
[M+HCOO]- 481.12524 223.3
[M+CH3COO]- 495.14089 231.9
[M+Na-2H]- 457.10171 201.6
[M]+ 436.12649 205.1
[M]- 436.12759 205.1
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.