CID 854973

Brn 4699416

Structural Information

Molecular Formula
C13H10N2OS
SMILES
CC1=NC2=S=C(C(=O)N2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C13H10N2OS/c1-9-7-8-15-12(16)11(17-13(15)14-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
XDGGELZYTVWQKC-UHFFFAOYSA-N
Compound name
7-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.05139 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05867 150.9
[M+Na]+ 265.04061 163.3
[M-H]- 241.04411 157.4
[M+NH4]+ 260.08521 169.9
[M+K]+ 281.01455 158.0
[M+H-H2O]+ 225.04865 143.8
[M+HCOO]- 287.04959 169.3
[M+CH3COO]- 301.06524 164.7
[M+Na-2H]- 263.02606 154.6
[M]+ 242.05084 154.8
[M]- 242.05194 154.8
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.