CID 42102

3-(imidazoline-2'-methyl)-5-methoxyindole nitrate

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

COC1=CC2=C(C=C1)NC=C2CC3=NCCN3

InChI

InChI=1S/C13H15N3O/c1-17-10-2-3-12-11(7-10)9(8-16-12)6-13-14-4-5-15-13/h2-3,7-8,16H,4-6H2,1H3,(H,14,15)

InChIKey

VGBNXQBYGCVRKZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.1215 Da
Monoisotopic Mass: 0.9
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]+	230.128776	150.6
[M+Na]+	252.110718	159.8
[M-H]-	228.114224	152.4
[M+NH4]+	247.155323	168.0
[M+K]+	268.084658	154.5
[M+H-H2O]+	212.118760	142.5
[M+HCOO]-	274.119701	170.1
[M+CH3COO]-	288.135351	162.4
[M+Na-2H]-	250.096166	154.2
[M]+	229.12095142	150.0
[M]-	229.12204858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe