CID 778073

496931-73-8

Structural Information

Molecular Formula

C₁₄H₁₉N₃

SMILES

CC1=NN(C(=C1C2=CC=CC=C2)N)C(C)(C)C

InChI

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

InChIKey

DOXLNMCPYVRQBU-UHFFFAOYSA-N

Compound name

2-tert-butyl-5-methyl-4-phenylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 229.1579 Da
Monoisotopic Mass: 2.8
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

literature stripe

Patent stripe

patents stripe