CID 51060753

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

Structural Information

Molecular Formula
C22H18N2O5
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C22H18N2O5/c1-14-2-6-16(7-3-14)22(28)29-18-9-4-15(5-10-18)13-23-24-21(27)19-11-8-17(25)12-20(19)26/h2-13,25-26H,1H3,(H,24,27)/b23-13+
InChIKey
TUWRURIHVRVWAK-YDZHTSKRSA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12158 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 193.3
[M+Na]+ 413.11080 205.8
[M+NH4]+ 408.15540 198.3
[M+K]+ 429.08474 199.6
[M-H]- 389.11430 198.5
[M+Na-2H]- 411.09625 201.5
[M]+ 390.12103 196.2
[M]- 390.12213 196.2
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.