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]+ 258.069576 153.9
[M+Na]+ 280.051518 165.5
[M-H]- 256.055024 161.7
[M+NH4]+ 275.096123 172.2
[M+K]+ 296.025458 161.2
[M+H-H2O]+ 240.059560 145.9
[M+HCOO]- 302.060501 175.1
[M+CH3COO]- 316.076151 167.7
[M+Na-2H]- 278.036966 159.3
[M]+ 257.06175142 159.2
[M]- 257.06284858 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.