CID 59011969

N-(7-chlorothiazolo[5,4-d]pyrimidin-2-yl)benzamide

Structural Information

Molecular Formula
C12H7ClN4OS
SMILES
C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)N=CN=C3Cl
InChI
InChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
InChIKey
UMGRVNKOCAXERC-UHFFFAOYSA-N
Compound name
N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

290.0029 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01018 159.1
[M+Na]+ 312.99212 174.7
[M+NH4]+ 308.03672 167.7
[M+K]+ 328.96606 166.8
[M-H]- 288.99562 162.8
[M+Na-2H]- 310.97757 168.0
[M]+ 290.00235 163.1
[M]- 290.00345 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe