CID 591737

7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine

Structural Information

Molecular Formula
C6H4ClN3S
SMILES
CC1=NC2=C(C(=N1)Cl)N=CS2
InChI
InChI=1S/C6H4ClN3S/c1-3-9-5(7)4-6(10-3)11-2-8-4/h2H,1H3
InChIKey
YRFFHMTVGVHVMB-UHFFFAOYSA-N
Compound name
7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.98145 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.988726 130.9
[M+Na]+ 207.970668 145.4
[M-H]- 183.974174 133.1
[M+NH4]+ 203.015273 152.0
[M+K]+ 223.944608 140.9
[M+H-H2O]+ 167.978710 125.1
[M+HCOO]- 229.979651 145.0
[M+CH3COO]- 243.995301 145.8
[M+Na-2H]- 205.956116 136.6
[M]+ 184.98090142 137.1
[M]- 184.98199858 137.1
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