CID 146193989

2379583-81-8

Structural Information

Molecular Formula
C9H11ClN4O
SMILES
C[C@H]1C(=O)NC2=C(N=C(N=C2N1C)Cl)C
InChI
InChI=1S/C9H11ClN4O/c1-4-6-7(13-9(10)11-4)14(3)5(2)8(15)12-6/h5H,1-3H3,(H,12,15)/t5-/m0/s1
InChIKey
HUXJAOAEDUBAAW-YFKPBYRVSA-N
Compound name
(7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

226.06213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06941 150.4
[M+Na]+ 249.05135 162.5
[M-H]- 225.05485 148.7
[M+NH4]+ 244.09595 165.3
[M+K]+ 265.02529 156.8
[M+H-H2O]+ 209.05939 142.9
[M+HCOO]- 271.06033 160.6
[M+CH3COO]- 285.07598 189.0
[M+Na-2H]- 247.03680 154.9
[M]+ 226.06158 150.8
[M]- 226.06268 150.8
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

patents stripe