CID 10084936

4-phenyl-2h-pyrimido(2,1-b)(1,3)benzothiazol-2-one

Structural Information

Molecular Formula
C16H10N2OS
SMILES
C1=CC=C(C=C1)C2=CC(=O)N=C3N2C4=CC=CC=C4S3
InChI
InChI=1S/C16H10N2OS/c19-15-10-13(11-6-2-1-3-7-11)18-12-8-4-5-9-14(12)20-16(18)17-15/h1-10H
InChIKey
VRTFHAOXCUFUFL-UHFFFAOYSA-N
Compound name
4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.0514 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05868 159.8
[M+Na]+ 301.04062 173.2
[M-H]- 277.04412 167.3
[M+NH4]+ 296.08522 178.1
[M+K]+ 317.01456 166.5
[M+H-H2O]+ 261.04866 152.2
[M+HCOO]- 323.04960 178.4
[M+CH3COO]- 337.06525 173.3
[M+Na-2H]- 299.02607 166.0
[M]+ 278.05085 164.9
[M]- 278.05195 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe