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 162.9
[M+Na]+ 295.11654 170.4
[M-H]- 271.12004 167.9
[M+NH4]+ 290.16114 177.9
[M+K]+ 311.09048 167.3
[M+H-H2O]+ 255.12458 154.1
[M+HCOO]- 317.12552 186.4
[M+CH3COO]- 331.14117 203.6
[M+Na-2H]- 293.10199 165.0
[M]+ 272.12677 163.6
[M]- 272.12787 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.