CID 99978880

4-chloro-8-methyl-5,6,7,8-tetrahydropteridin-6-one

Structural Information

Molecular Formula
C7H7ClN4O
SMILES
CN1CC(=O)NC2=C1N=CN=C2Cl
InChI
InChI=1S/C7H7ClN4O/c1-12-2-4(13)11-5-6(8)9-3-10-7(5)12/h3H,2H2,1H3,(H,11,13)
InChIKey
GTGYLCJIIGSJPX-UHFFFAOYSA-N
Compound name
4-chloro-8-methyl-5,7-dihydropteridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03084 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03812 140.4
[M+Na]+ 221.02006 151.4
[M-H]- 197.02356 138.2
[M+NH4]+ 216.06466 155.8
[M+K]+ 236.99400 146.3
[M+H-H2O]+ 181.02810 132.6
[M+HCOO]- 243.02904 151.3
[M+CH3COO]- 257.04469 151.9
[M+Na-2H]- 219.00551 147.5
[M]+ 198.03029 139.3
[M]- 198.03139 139.3
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.