CID 24827682

1015248-96-0

Structural Information

Molecular Formula
C16H14N2S
SMILES
C1CN2C3=CC=CC=C3SC2=N[C@@H]1C4=CC=CC=C4
InChI
InChI=1S/C16H14N2S/c1-2-6-12(7-3-1)13-10-11-18-14-8-4-5-9-15(14)19-16(18)17-13/h1-9,13H,10-11H2/t13-/m0/s1
InChIKey
ZMYZJAQMQBHNLH-ZDUSSCGKSA-N
Compound name
(2S)-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

266.08777 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09505 157.6
[M+Na]+ 289.07699 167.0
[M-H]- 265.08049 163.4
[M+NH4]+ 284.12159 176.0
[M+K]+ 305.05093 161.0
[M+H-H2O]+ 249.08503 149.7
[M+HCOO]- 311.08597 171.7
[M+CH3COO]- 325.10162 169.4
[M+Na-2H]- 287.06244 161.6
[M]+ 266.08722 157.4
[M]- 266.08832 157.4
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.