CID 9617871

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

Structural Information

Molecular Formula
C19H14N2O5S
SMILES
C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C19H14N2O5S/c22-13-5-8-15(16(23)10-13)18(24)21-20-11-12-3-6-14(7-4-12)26-19(25)17-2-1-9-27-17/h1-11,22-23H,(H,21,24)/b20-11+
InChIKey
DOTCPCDPTRSPJB-RGVLZGJSSA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.06235 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.06963 187.2
[M+Na]+ 405.05157 193.0
[M-H]- 381.05507 196.2
[M+NH4]+ 400.09617 199.2
[M+K]+ 421.02551 188.5
[M+H-H2O]+ 365.05961 178.8
[M+HCOO]- 427.06055 207.0
[M+CH3COO]- 441.07620 215.8
[M+Na-2H]- 403.03702 187.2
[M]+ 382.06180 190.0
[M]- 382.06290 190.0
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.