CID 137951706

2173637-71-1

Structural Information

Molecular Formula
C7H7ClN4O
SMILES
C[C@H]1C(=O)NC2=C(N1)N=CN=C2Cl
InChI
InChI=1S/C7H7ClN4O/c1-3-7(13)12-4-5(8)9-2-10-6(4)11-3/h2-3H,1H3,(H,12,13)(H,9,10,11)/t3-/m0/s1
InChIKey
HDKJMFLRTDBYHF-VKHMYHEASA-N
Compound name
(7S)-4-chloro-7-methyl-7,8-dihydro-5H-pteridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03084 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03812 141.1
[M+Na]+ 221.02006 151.7
[M-H]- 197.02356 137.5
[M+NH4]+ 216.06466 155.8
[M+K]+ 236.99400 145.7
[M+H-H2O]+ 181.02810 133.7
[M+HCOO]- 243.02904 150.5
[M+CH3COO]- 257.04469 151.9
[M+Na-2H]- 219.00551 147.7
[M]+ 198.03029 138.2
[M]- 198.03139 138.2
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.