CID 5427305

Pyromucic acid, 2-(4-acetylaminophenylmethylene) hydrazide

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CO2
InChI
InChI=1S/C14H13N3O3/c1-10(18)16-12-6-4-11(5-7-12)9-15-17-14(19)13-3-2-8-20-13/h2-9H,1H3,(H,16,18)(H,17,19)/b15-9+
InChIKey
OGGIDNFZLOOKHE-OQLLNIDSSA-N
Compound name
N-[(E)-(4-acetamidophenyl)methylideneamino]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 161.9
[M+Na]+ 294.08492 167.4
[M-H]- 270.08842 170.8
[M+NH4]+ 289.12952 177.9
[M+K]+ 310.05886 166.3
[M+H-H2O]+ 254.09296 153.6
[M+HCOO]- 316.09390 189.9
[M+CH3COO]- 330.10955 204.2
[M+Na-2H]- 292.07037 166.9
[M]+ 271.09515 163.1
[M]- 271.09625 163.1
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.