CID 122164500

7-chloro-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine

Structural Information

Molecular Formula
C11H6ClN3S
SMILES
C1=CC=C(C=C1)C2=NSC3=C2N=CN=C3Cl
InChI
InChI=1S/C11H6ClN3S/c12-11-10-9(13-6-14-11)8(15-16-10)7-4-2-1-3-5-7/h1-6H
InChIKey
ZYOZOMVXVMXRND-UHFFFAOYSA-N
Compound name
7-chloro-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.9971 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.004376 148.1
[M+Na]+ 269.986318 162.0
[M-H]- 245.989824 153.1
[M+NH4]+ 265.030923 166.2
[M+K]+ 285.960258 155.5
[M+H-H2O]+ 229.994360 140.7
[M+HCOO]- 291.995301 162.1
[M+CH3COO]- 306.010951 161.8
[M+Na-2H]- 267.971766 153.7
[M]+ 246.99655142 153.8
[M]- 246.99764858 153.8
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

No patent data available for this compound.