CID 10680000

99445-26-8

Structural Information

Molecular Formula

C₁₂H₉N₃O

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)N3C=CN=C3

InChI

InChI=1S/C12H9N3O/c16-12(15-6-5-13-8-15)10-7-14-11-4-2-1-3-9(10)11/h1-8,14H

InChIKey

SCCOEDPYQZHULK-UHFFFAOYSA-N

Compound name

imidazol-1-yl(1H-indol-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.07455 Da
Monoisotopic Mass: 2.1
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]+	212.08183	144.4
[M+Na]+	234.06377	157.9
[M+NH4]+	229.10837	152.3
[M+K]+	250.03771	155.3
[M-H]-	210.06727	146.1
[M+Na-2H]-	232.04922	152.1
[M]+	211.07400	146.7
[M]-	211.07510	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe