CID 135542228

Nsc270457

Structural Information

Molecular Formula
C16H12N4O3
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=N)N(NC2=O)C(=O)C3=CC=NC=C3)O
InChI
InChI=1S/C16H12N4O3/c17-14-12(9-11-3-1-2-4-13(11)21)15(22)19-20(14)16(23)10-5-7-18-8-6-10/h1-9,17,21H,(H,19,22)/b12-9-,17-14?
InChIKey
MEPNXNMFYIKPTA-VOBDGNOHSA-N
Compound name
(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-imino-1-(pyridine-4-carbonyl)pyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.09094 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09822 171.1
[M+Na]+ 331.08016 178.5
[M-H]- 307.08366 175.0
[M+NH4]+ 326.12476 181.4
[M+K]+ 347.05410 171.7
[M+H-H2O]+ 291.08820 161.5
[M+HCOO]- 353.08914 188.4
[M+CH3COO]- 367.10479 200.7
[M+Na-2H]- 329.06561 171.6
[M]+ 308.09039 165.7
[M]- 308.09149 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.