CID 136611990

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

Structural Information

Molecular Formula
C16H14IN3O4
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=C(C=C(C=C2)O)O)I
InChI
InChI=1S/C16H14IN3O4/c17-13-4-2-1-3-12(13)16(24)18-9-15(23)20-19-8-10-5-6-11(21)7-14(10)22/h1-8,21-22H,9H2,(H,18,24)(H,20,23)/b19-8+
InChIKey
DRJCOMZYMSVIND-UFWORHAWSA-N
Compound name
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.0029 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.01018 195.1
[M+Na]+ 461.99212 192.8
[M-H]- 437.99562 193.2
[M+NH4]+ 457.03672 202.0
[M+K]+ 477.96606 195.2
[M+H-H2O]+ 422.00016 182.3
[M+HCOO]- 484.00110 213.5
[M+CH3COO]- 498.01675 220.1
[M+Na-2H]- 459.97757 184.9
[M]+ 439.00235 191.1
[M]- 439.00345 191.1
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.