CID 3064611

7h-thiazolo(3,2-a)pyrimidin-7-one, 5-(n-methylanilino)-

Structural Information

Molecular Formula
C13H11N3OS
SMILES
CN(C1=CC=CC=C1)C2=CC(=O)N=C3N2C=CS3
InChI
InChI=1S/C13H11N3OS/c1-15(10-5-3-2-4-6-10)12-9-11(17)14-13-16(12)7-8-18-13/h2-9H,1H3
InChIKey
HUDYCTVZTXRIOW-UHFFFAOYSA-N
Compound name
5-(N-methylanilino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0623 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06958 153.9
[M+Na]+ 280.05152 165.5
[M-H]- 256.05502 161.7
[M+NH4]+ 275.09612 172.2
[M+K]+ 296.02546 161.2
[M+H-H2O]+ 240.05956 145.9
[M+HCOO]- 302.06050 175.1
[M+CH3COO]- 316.07615 167.7
[M+Na-2H]- 278.03697 159.3
[M]+ 257.06175 159.2
[M]- 257.06285 159.2
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.