CID 9660991

92441-07-1

Structural Information

Molecular Formula

C₁₄H₁₇N₅O₃

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C/C(=N/O)/N

InChI

InChI=1S/C14H17N5O3/c1-9-13(16-12(20)8-11(15)17-22)14(21)19(18(9)2)10-6-4-3-5-7-10/h3-7,22H,8H2,1-2H3,(H2,15,17)(H,16,20)

InChIKey

AYLZLERRZYVVHQ-UHFFFAOYSA-N

Compound name

(3Z)-3-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxyiminopropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.13315 Da
Monoisotopic Mass: -0.7
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]+	304.140426	169.1
[M+Na]+	326.122368	176.5
[M-H]-	302.125874	174.0
[M+NH4]+	321.166973	182.2
[M+K]+	342.096308	173.4
[M+H-H2O]+	286.130410	160.0
[M+HCOO]-	348.131351	193.3
[M+CH3COO]-	362.147001	211.3
[M+Na-2H]-	324.107816	170.1
[M]+	303.13260142	169.2
[M]-	303.13369858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.