CID 751392

N-(4-{5-[(1-hydroxyethylidene)amino]-1-methyl-1h-pyrazol-3-yl}phenyl)ethanimidic acid

Structural Information

Molecular Formula
C14H16N4O2
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C)C
InChI
InChI=1S/C14H16N4O2/c1-9(19)15-12-6-4-11(5-7-12)13-8-14(16-10(2)20)18(3)17-13/h4-8H,1-3H3,(H,15,19)(H,16,20)
InChIKey
JSTQQAMIILQEAY-UHFFFAOYSA-N
Compound name
N-[4-(5-acetamido-1-methylpyrazol-3-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12732 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 163.5
[M+Na]+ 295.11654 173.8
[M+NH4]+ 290.16114 169.1
[M+K]+ 311.09048 171.0
[M-H]- 271.12004 165.6
[M+Na-2H]- 293.10199 169.2
[M]+ 272.12677 165.1
[M]- 272.12787 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.