CID 7016491

898537-77-4

Structural Information

Molecular Formula

C₁₄H₁₉N₃

SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)N

InChI

InChI=1S/C14H19N3/c1-10-6-5-7-11(8-10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3

InChIKey

YDYDGSYHOOCUPO-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-(3-methylphenyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 229.1579 Da
Monoisotopic Mass: 3.6
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]+	230.16518	154.8
[M+Na]+	252.14712	167.5
[M+NH4]+	247.19172	162.7
[M+K]+	268.12106	163.2
[M-H]-	228.15062	157.9
[M+Na-2H]-	250.13257	162.3
[M]+	229.15735	157.6
[M]-	229.15845	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe