CID 4604177

32959-72-1

Structural Information

Molecular Formula
C12H12N2S
SMILES
C1CN=C2N(C1)C(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C12H12N2S/c1-2-5-10(6-3-1)11-9-15-12-13-7-4-8-14(11)12/h1-3,5-6,9H,4,7-8H2
InChIKey
XZWPLVUQTBSUBV-UHFFFAOYSA-N
Compound name
3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07939 145.0
[M+Na]+ 239.06133 159.1
[M+NH4]+ 234.10593 155.6
[M+K]+ 255.03527 150.5
[M-H]- 215.06483 149.6
[M+Na-2H]- 237.04678 153.1
[M]+ 216.07156 148.9
[M]- 216.07266 148.9
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.