CID 2745636

Maybridge3_007154

Structural Information

Molecular Formula

C₁₆H₁₆N₄O₂

SMILES

CC(C)NC(=O)N1C(=CC=N1)C2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O2/c1-11(2)18-16(21)20-14(8-9-17-20)15-10-13(19-22-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)

InChIKey

QRNLAIUHBMUYJS-UHFFFAOYSA-N

Compound name

5-(3-phenyl-1,2-oxazol-5-yl)-N-propan-2-ylpyrazole-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 296.12732 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.134596	167.3
[M+Na]+	319.116538	175.8
[M-H]-	295.120044	175.3
[M+NH4]+	314.161143	180.3
[M+K]+	335.090478	173.2
[M+H-H2O]+	279.124580	157.7
[M+HCOO]-	341.125521	190.2
[M+CH3COO]-	355.141171	179.3
[M+Na-2H]-	317.101986	169.5
[M]+	296.12677142	170.6
[M]-	296.12786858	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe