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]+ 185.05885 138.6
[M+Na]+ 207.04079 148.1
[M-H]- 183.04429 134.6
[M+NH4]+ 202.08539 153.7
[M+K]+ 223.01473 142.1
[M+H-H2O]+ 167.04883 130.9
[M+HCOO]- 229.04977 147.7
[M+CH3COO]- 243.06542 149.2
[M+Na-2H]- 205.02624 146.0
[M]+ 184.05102 134.6
[M]- 184.05212 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.