CID 25200825

16713-59-0

Structural Information

Molecular Formula

C₁₂H₁₂N₄O₂

SMILES

CC1=CC2=C(C=C1C)NC3=C(N2)C(=O)NC(=O)N3

InChI

InChI=1S/C12H12N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4,13H,1-2H3,(H3,14,15,16,17,18)

InChIKey

USIFYIANMTUHMT-UHFFFAOYSA-N

Compound name

7,8-dimethyl-5,10-dihydro-1H-benzo[g]pteridine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 244.09602 Da
Monoisotopic Mass: 1.5
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]+	245.103296	158.3
[M+Na]+	267.085238	169.7
[M-H]-	243.088744	154.0
[M+NH4]+	262.129843	170.3
[M+K]+	283.059178	161.2
[M+H-H2O]+	227.093280	150.5
[M+HCOO]-	289.094221	169.2
[M+CH3COO]-	303.109871	167.7
[M+Na-2H]-	265.070686	164.4
[M]+	244.09547142	153.7
[M]-	244.09656858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe