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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.07939	144.8
[M+Na]+	239.06133	153.7
[M-H]-	215.06483	149.9
[M+NH4]+	234.10593	164.2
[M+K]+	255.03527	149.3
[M+H-H2O]+	199.06937	137.4
[M+HCOO]-	261.07031	160.5
[M+CH3COO]-	275.08596	157.4
[M+Na-2H]-	237.04678	148.5
[M]+	216.07156	144.1
[M]-	216.07266	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe