CID 205182

17551-16-5

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

CC(C)NC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3/c1-10(2)14-11-8-13-15(9-11)12-6-4-3-5-7-12/h3-10,14H,1-2H3

InChIKey

QXRKOFHNVZENKS-UHFFFAOYSA-N

Compound name

1-phenyl-N-propan-2-ylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 201.1266 Da
Monoisotopic Mass: 2.7
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]+	202.13388	144.9
[M+Na]+	224.11582	152.1
[M-H]-	200.11932	149.1
[M+NH4]+	219.16042	162.7
[M+K]+	240.08976	149.0
[M+H-H2O]+	184.12386	136.3
[M+HCOO]-	246.12480	168.2
[M+CH3COO]-	260.14045	188.1
[M+Na-2H]-	222.10127	150.1
[M]+	201.12605	144.2
[M]-	201.12715	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe