CID 467113

Schembl7330788

Structural Information

Molecular Formula
C19H18N2OS
SMILES
CC1=CC2=C(C=C1)N3C(=CN=C3S2)C(CCC4=CC=CC=C4)O
InChI
InChI=1S/C19H18N2OS/c1-13-7-9-15-18(11-13)23-19-20-12-16(21(15)19)17(22)10-8-14-5-3-2-4-6-14/h2-7,9,11-12,17,22H,8,10H2,1H3
InChIKey
LYEALUIZYCWSGF-UHFFFAOYSA-N
Compound name
1-(6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.11398 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12126 175.1
[M+Na]+ 345.10320 187.1
[M-H]- 321.10670 181.7
[M+NH4]+ 340.14780 193.1
[M+K]+ 361.07714 180.6
[M+H-H2O]+ 305.11124 168.6
[M+HCOO]- 367.11218 192.4
[M+CH3COO]- 381.12783 187.3
[M+Na-2H]- 343.08865 176.3
[M]+ 322.11343 182.1
[M]- 322.11453 182.1
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.