CID 3064612

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

Structural Information

Molecular Formula
C14H13N3OS
SMILES
CCN(C1=CC=CC=C1)C2=CC(=O)N=C3N2C=CS3
InChI
InChI=1S/C14H13N3OS/c1-2-16(11-6-4-3-5-7-11)13-10-12(18)15-14-17(13)8-9-19-14/h3-10H,2H2,1H3
InChIKey
MBCYPSLCCFBFAX-UHFFFAOYSA-N
Compound name
5-(N-ethylanilino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07794 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 158.3
[M+Na]+ 294.06716 169.5
[M-H]- 270.07066 165.9
[M+NH4]+ 289.11176 176.1
[M+K]+ 310.04110 164.9
[M+H-H2O]+ 254.07520 150.2
[M+HCOO]- 316.07614 179.2
[M+CH3COO]- 330.09179 171.7
[M+Na-2H]- 292.05261 163.3
[M]+ 271.07739 164.0
[M]- 271.07849 164.0
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.