CID 29835

19853-01-1

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1CN=C(N1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C12H13N3/c1-2-4-11-10(3-1)9(8-15-11)7-12-13-5-6-14-12/h1-4,8,15H,5-7H2,(H,13,14)

InChIKey

HGNMPVZIINPXDA-UHFFFAOYSA-N

Compound name

3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 199.11095 Da
Monoisotopic Mass: 0.8
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]+	200.11823	143.4
[M+Na]+	222.10017	156.3
[M+NH4]+	217.14477	151.9
[M+K]+	238.07411	152.9
[M-H]-	198.10367	145.4
[M+Na-2H]-	220.08562	150.6
[M]+	199.11040	145.7
[M]-	199.11150	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe