CID 3064610

7h-thiazolo(3,2-a)pyrimidin-7-one, 5-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C10H11N3OS
SMILES
C1CCN(C1)C2=CC(=O)N=C3N2C=CS3
InChI
InChI=1S/C10H11N3OS/c14-8-7-9(12-3-1-2-4-12)13-5-6-15-10(13)11-8/h5-7H,1-4H2
InChIKey
AQJFYOTWGWHYPZ-UHFFFAOYSA-N
Compound name
5-pyrrolidin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.069566 145.5
[M+Na]+ 244.051508 157.4
[M-H]- 220.055014 150.7
[M+NH4]+ 239.096113 165.7
[M+K]+ 260.025448 153.8
[M+H-H2O]+ 204.059550 138.7
[M+HCOO]- 266.060491 163.2
[M+CH3COO]- 280.076141 159.2
[M+Na-2H]- 242.036956 147.2
[M]+ 221.06174142 148.2
[M]- 221.06283858 148.2
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.