CID 136627431

N-(2-(2-(2,4-dihydroxybenzylidene)hydrazino)-2-oxoethyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C17H17N3O5
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C17H17N3O5/c1-25-14-6-3-11(4-7-14)17(24)18-10-16(23)20-19-9-12-2-5-13(21)8-15(12)22/h2-9,21-22H,10H2,1H3,(H,18,24)(H,20,23)/b19-9+
InChIKey
MBXCAPPYLIWEAG-DJKKODMXSA-N
Compound name
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.11682 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12410 177.2
[M+Na]+ 366.10604 181.9
[M-H]- 342.10954 182.7
[M+NH4]+ 361.15064 188.5
[M+K]+ 382.07998 179.3
[M+H-H2O]+ 326.11408 168.1
[M+HCOO]- 388.11502 201.6
[M+CH3COO]- 402.13067 216.0
[M+Na-2H]- 364.09149 180.2
[M]+ 343.11627 178.0
[M]- 343.11737 178.0
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.