CID 9617864

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

Structural Information

Molecular Formula
C22H18N2O5
SMILES
CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C22H18N2O5/c1-14-4-2-3-5-18(14)22(28)29-17-9-6-15(7-10-17)13-23-24-21(27)19-11-8-16(25)12-20(19)26/h2-13,25-26H,1H3,(H,24,27)/b23-13+
InChIKey
BHSXTIUEJMKUOH-YDZHTSKRSA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12158 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 191.3
[M+Na]+ 413.11080 196.7
[M-H]- 389.11430 200.0
[M+NH4]+ 408.15540 200.6
[M+K]+ 429.08474 192.7
[M+H-H2O]+ 373.11884 181.1
[M+HCOO]- 435.11978 214.1
[M+CH3COO]- 449.13543 222.9
[M+Na-2H]- 411.09625 193.0
[M]+ 390.12103 192.2
[M]- 390.12213 192.2
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.