CID 372001

Nsc646817

Structural Information

Molecular Formula
C16H14N4O5
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C(=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C16H14N4O5/c1-25-16(24)11-4-2-3-5-12(11)18-14(22)15(23)20-19-13(21)10-6-8-17-9-7-10/h2-9H,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKey
SIFIASVMCYKANM-UHFFFAOYSA-N
Compound name
methyl 2-[[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.0964 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10368 176.3
[M+Na]+ 365.08562 180.0
[M-H]- 341.08912 181.6
[M+NH4]+ 360.13022 186.4
[M+K]+ 381.05956 178.7
[M+H-H2O]+ 325.09366 166.4
[M+HCOO]- 387.09460 199.6
[M+CH3COO]- 401.11025 214.5
[M+Na-2H]- 363.07107 179.7
[M]+ 342.09585 176.1
[M]- 342.09695 176.1
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

patents stripe