CID 467109

Schembl7338395

Structural Information

Molecular Formula
C18H20N2OS
SMILES
C1CCC2=C(C1)N3C(=CN=C3S2)C(CCC4=CC=CC=C4)O
InChI
InChI=1S/C18H20N2OS/c21-16(11-10-13-6-2-1-3-7-13)15-12-19-18-20(15)14-8-4-5-9-17(14)22-18/h1-3,6-7,12,16,21H,4-5,8-11H2
InChIKey
OLPQJRNZXVEPKM-UHFFFAOYSA-N
Compound name
3-phenyl-1-(5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.12964 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13692 172.0
[M+Na]+ 335.11886 180.5
[M-H]- 311.12236 177.1
[M+NH4]+ 330.16346 189.8
[M+K]+ 351.09280 174.9
[M+H-H2O]+ 295.12690 165.3
[M+HCOO]- 357.12784 185.5
[M+CH3COO]- 371.14349 182.8
[M+Na-2H]- 333.10431 171.7
[M]+ 312.12909 174.2
[M]- 312.13019 174.2
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

patents stripe