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: 8
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	146.6
[M+Na]+	246.04046	157.0
[M-H]-	222.04396	149.6
[M+NH4]+	241.08506	164.0
[M+K]+	262.01440	151.4
[M+H-H2O]+	206.04850	139.3
[M+HCOO]-	268.04944	164.9
[M+CH3COO]-	282.06509	159.3
[M+Na-2H]-	244.02591	150.4
[M]+	223.05069	147.0
[M]-	223.05179	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe