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]+ 248.00438 148.1
[M+Na]+ 269.98632 162.0
[M-H]- 245.98982 153.1
[M+NH4]+ 265.03092 166.2
[M+K]+ 285.96026 155.5
[M+H-H2O]+ 229.99436 140.7
[M+HCOO]- 291.99530 162.1
[M+CH3COO]- 306.01095 161.8
[M+Na-2H]- 267.97177 153.7
[M]+ 246.99655 153.8
[M]- 246.99765 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.