CID 71305

Nanterinone

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

CC1=CC(=CC2=C1NC(=O)C=C2)N3C=C(N=C3C)C

InChI

InChI=1S/C15H15N3O/c1-9-6-13(18-8-10(2)16-11(18)3)7-12-4-5-14(19)17-15(9)12/h4-8H,1-3H3,(H,17,19)

InChIKey

NMNXBEXPAHSXOK-UHFFFAOYSA-N

Compound name

6-(2,4-dimethylimidazol-1-yl)-8-methyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 324
Patents: 253.1215 Da
Monoisotopic Mass: 2.2
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]+	254.12878	158.0
[M+Na]+	276.11072	174.9
[M+NH4]+	271.15532	165.9
[M+K]+	292.08466	168.9
[M-H]-	252.11422	161.1
[M+Na-2H]-	274.09617	166.0
[M]+	253.12095	161.4
[M]-	253.12205	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe