CID 135703670

6-methyl-3h,4h,5h-pyrrolo[3,2-d]pyrimidin-4-one

Structural Information

Molecular Formula
C7H7N3O
SMILES
CC1=CC2=C(N1)C(=O)NC=N2
InChI
InChI=1S/C7H7N3O/c1-4-2-5-6(10-4)7(11)9-3-8-5/h2-3,10H,1H3,(H,8,9,11)
InChIKey
WPRGOQMAAIZUQN-UHFFFAOYSA-N
Compound name
6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

149.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 127.3
[M+Na]+ 172.04813 139.4
[M-H]- 148.05163 126.4
[M+NH4]+ 167.09273 146.6
[M+K]+ 188.02207 134.8
[M+H-H2O]+ 132.05617 120.7
[M+HCOO]- 194.05711 148.1
[M+CH3COO]- 208.07276 141.1
[M+Na-2H]- 170.03358 135.6
[M]+ 149.05836 126.9
[M]- 149.05946 126.9
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