CID 3076267

Dtxsid10926823

Structural Information

Molecular Formula

C₁₄H₁₅N₃

SMILES

CC(C)C1=C(NN2C1=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H15N3/c1-10(2)12-13(11-6-4-3-5-7-11)16-17-9-8-15-14(12)17/h3-10,16H,1-2H3

InChIKey

ZZLBUIQATLYXHI-UHFFFAOYSA-N

Compound name

6-phenyl-7-propan-2-yl-5H-imidazo[1,2-b]pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.1266 Da
Monoisotopic Mass: 3.5
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]+	226.133876	151.1
[M+Na]+	248.115818	161.1
[M-H]-	224.119324	154.6
[M+NH4]+	243.160423	169.4
[M+K]+	264.089758	156.1
[M+H-H2O]+	208.123860	142.9
[M+HCOO]-	270.124801	171.9
[M+CH3COO]-	284.140451	163.7
[M+Na-2H]-	246.101266	154.3
[M]+	225.12605142	152.0
[M]-	225.12714858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe