CID 65979

Indanazoline

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

C1CC2=C(C1)C(=CC=C2)NC3=NCCN3

InChI

InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)

InChIKey

KUCWWEPJRBANHL-UHFFFAOYSA-N

Compound name

N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 914
Patents: 201.1266 Da
Monoisotopic Mass: 1.4
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	143.4
[M+Na]+	224.11582	149.8
[M-H]-	200.11932	146.9
[M+NH4]+	219.16042	163.2
[M+K]+	240.08976	145.6
[M+H-H2O]+	184.12386	135.5
[M+HCOO]-	246.12480	164.1
[M+CH3COO]-	260.14045	155.3
[M+Na-2H]-	222.10127	147.5
[M]+	201.12605	138.3
[M]-	201.12715	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe