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

1794
Patents

242.08037 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 155.1
[M+Na]+ 265.06959 169.3
[M-H]- 241.07309 154.3
[M+NH4]+ 260.11419 168.7
[M+K]+ 281.04353 161.9
[M+H-H2O]+ 225.07763 146.6
[M+HCOO]- 287.07857 171.8
[M+CH3COO]- 301.09422 166.9
[M+Na-2H]- 263.05504 164.1
[M]+ 242.07982 156.8
[M]- 242.08092 156.8
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

No patent data available for this compound.