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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10330 158.3
[M+Na]+ 267.08524 169.7
[M-H]- 243.08874 154.0
[M+NH4]+ 262.12984 170.3
[M+K]+ 283.05918 161.2
[M+H-H2O]+ 227.09328 150.5
[M+HCOO]- 289.09422 169.2
[M+CH3COO]- 303.10987 167.7
[M+Na-2H]- 265.07069 164.4
[M]+ 244.09547 153.7
[M]- 244.09657 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe