CID 135441730

712-38-9

Structural Information

Molecular Formula
C7H7N5O2
SMILES
CC1=NC2=C(NC1=O)N=C(NC2=O)N
InChI
InChI=1S/C7H7N5O2/c1-2-5(13)10-4-3(9-2)6(14)12-7(8)11-4/h1H3,(H4,8,10,11,12,13,14)
InChIKey
DYXQYFTUVSIKIG-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-3,8-dihydropteridine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

42
Patents

193.05997 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06725 141.5
[M+Na]+ 216.04919 153.9
[M-H]- 192.05269 139.1
[M+NH4]+ 211.09379 155.4
[M+K]+ 232.02313 148.2
[M+H-H2O]+ 176.05723 133.8
[M+HCOO]- 238.05817 159.3
[M+CH3COO]- 252.07382 153.3
[M+Na-2H]- 214.03464 149.3
[M]+ 193.05942 139.2
[M]- 193.06052 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe