CID 3707455

501902-86-9

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃O

SMILES

COC1=C(C=C(C=C1)Cl)C2=CC(=NN2)N

InChI

InChI=1S/C10H10ClN3O/c1-15-9-3-2-6(11)4-7(9)8-5-10(12)14-13-8/h2-5H,1H3,(H3,12,13,14)

InChIKey

PAMBTRVKKBROAC-UHFFFAOYSA-N

Compound name

5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 223.05124 Da
Monoisotopic Mass: 2.1
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]+	224.05852	146.1
[M+Na]+	246.04046	159.7
[M+NH4]+	241.08506	154.0
[M+K]+	262.01440	154.9
[M-H]-	222.04396	148.9
[M+Na-2H]-	244.02591	153.5
[M]+	223.05069	148.9
[M]-	223.05179	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe