CID 5326566

Lumichrome

Structural Information

Molecular Formula

C₁₂H₁₀N₄O₂

SMILES

CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3

InChI

InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)

InChIKey

ZJTJUVIJVLLGSP-UHFFFAOYSA-N

Compound name

7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 121
References: 1814
Patents: 242.08037 Da
Monoisotopic Mass: 1.1
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]+	243.087646	155.1
[M+Na]+	265.069588	169.3
[M-H]-	241.073094	154.3
[M+NH4]+	260.114193	168.7
[M+K]+	281.043528	161.9
[M+H-H2O]+	225.077630	146.6
[M+HCOO]-	287.078571	171.8
[M+CH3COO]-	301.094221	166.9
[M+Na-2H]-	263.055036	164.1
[M]+	242.07982142	156.8
[M]-	242.08091858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe