CID 124006

117186-80-8

Structural Information

Molecular Formula

C₁₆H₁₇N₃O

SMILES

CC1=C(N=CN1)CCC(=O)C2=CC3=CC=CC=C3N2C

InChI

InChI=1S/C16H17N3O/c1-11-13(18-10-17-11)7-8-16(20)15-9-12-5-3-4-6-14(12)19(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)

InChIKey

AQCBJPZFJDPIGL-UHFFFAOYSA-N

Compound name

3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 59
References: 4
Patents: 267.13718 Da
Monoisotopic Mass: 2.5
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]+	268.14446	162.4
[M+Na]+	290.12640	175.8
[M+NH4]+	285.17100	169.6
[M+K]+	306.10034	172.6
[M-H]-	266.12990	164.2
[M+Na-2H]-	288.11185	168.5
[M]+	267.13663	164.7
[M]-	267.13773	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe