CID 3067264

81016-56-0

Structural Information

Molecular Formula

C₁₁H₁₂ClN₅O

SMILES

CC1=C(C(=NN1)C(=O)NNC2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C11H12ClN5O/c1-6-9(13)10(16-14-6)11(18)17-15-8-4-2-3-7(12)5-8/h2-5,15H,13H2,1H3,(H,14,16)(H,17,18)

InChIKey

QGXMGKAXJKCBLX-UHFFFAOYSA-N

Compound name

4-amino-N'-(3-chlorophenyl)-5-methyl-1H-pyrazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.07303 Da
Monoisotopic Mass: 2.6
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]+	266.080306	158.3
[M+Na]+	288.062248	166.5
[M-H]-	264.065754	161.5
[M+NH4]+	283.106853	173.2
[M+K]+	304.036188	160.7
[M+H-H2O]+	248.070290	150.3
[M+HCOO]-	310.071231	177.6
[M+CH3COO]-	324.086881	199.1
[M+Na-2H]-	286.047696	161.6
[M]+	265.07248142	156.5
[M]-	265.07357858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.