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
2
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]+ 273.134596 162.9
[M+Na]+ 295.116538 170.4
[M-H]- 271.120044 167.9
[M+NH4]+ 290.161143 177.9
[M+K]+ 311.090478 167.3
[M+H-H2O]+ 255.124580 154.1
[M+HCOO]- 317.125521 186.4
[M+CH3COO]- 331.141171 203.6
[M+Na-2H]- 293.101986 165.0
[M]+ 272.12677142 163.6
[M]- 272.12786858 163.6
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.