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

3-tert-butyl-1-(3-methylphenyl)pyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
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]+	230.165176	155.3
[M+Na]+	252.147118	164.4
[M-H]-	228.150624	159.8
[M+NH4]+	247.191723	172.7
[M+K]+	268.121058	160.4
[M+H-H2O]+	212.155160	147.7
[M+HCOO]-	274.156101	176.7
[M+CH3COO]-	288.171751	194.6
[M+Na-2H]-	250.132566	158.8
[M]+	229.15735142	155.2
[M]-	229.15844858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe