CID 206683

28466-02-6

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

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

InChI

InChI=1S/C11H14N4/c1-9(2)14-10-6-13-15(8-10)11-4-3-5-12-7-11/h3-9,14H,1-2H3

InChIKey

DAUKRLSROVPSQP-UHFFFAOYSA-N

Compound name

N-propan-2-yl-1-pyridin-3-ylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 202.12184 Da
Monoisotopic Mass: 1.6
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]+	203.12912	144.7
[M+Na]+	225.11106	152.4
[M-H]-	201.11456	147.6
[M+NH4]+	220.15566	161.1
[M+K]+	241.08500	149.3
[M+H-H2O]+	185.11910	135.3
[M+HCOO]-	247.12004	166.9
[M+CH3COO]-	261.13569	187.9
[M+Na-2H]-	223.09651	150.4
[M]+	202.12129	144.1
[M]-	202.12239	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe