CID 155820133

(7r)-4-chloro-7-methyl-5,6,7,8-tetrahydropteridine

Structural Information

Molecular Formula
C7H9ClN4
SMILES
C[C@@H]1CNC2=C(N1)N=CN=C2Cl
InChI
InChI=1S/C7H9ClN4/c1-4-2-9-5-6(8)10-3-11-7(5)12-4/h3-4,9H,2H2,1H3,(H,10,11,12)/t4-/m1/s1
InChIKey
SVLMBRKITFPTQL-SCSAIBSYSA-N
Compound name
(7R)-4-chloro-7-methyl-5,6,7,8-tetrahydropteridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.05157 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.058846 138.6
[M+Na]+ 207.040788 148.1
[M-H]- 183.044294 134.6
[M+NH4]+ 202.085393 153.7
[M+K]+ 223.014728 142.1
[M+H-H2O]+ 167.048830 130.9
[M+HCOO]- 229.049771 147.7
[M+CH3COO]- 243.065421 149.2
[M+Na-2H]- 205.026236 146.0
[M]+ 184.05102142 134.6
[M]- 184.05211858 134.6
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.