CID 214511

Ibazole alcohol

Structural Information

Molecular Formula
C16H26N2O2S2
SMILES
CC(C)(CCCO)C1=NC2=C(S1)N=C(S2)C(C)(C)CCCO
InChI
InChI=1S/C16H26N2O2S2/c1-15(2,7-5-9-19)13-17-11-12(21-13)18-14(22-11)16(3,4)8-6-10-20/h19-20H,5-10H2,1-4H3
InChIKey
MGULMAOLSBMDGP-UHFFFAOYSA-N
Compound name
4-[5-(5-hydroxy-2-methylpentan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-4-methylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1436 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15088 184.4
[M+Na]+ 365.13282 193.1
[M-H]- 341.13632 184.2
[M+NH4]+ 360.17742 200.4
[M+K]+ 381.10676 188.1
[M+H-H2O]+ 325.14086 179.9
[M+HCOO]- 387.14180 191.2
[M+CH3COO]- 401.15745 205.1
[M+Na-2H]- 363.11827 183.3
[M]+ 342.14305 192.1
[M]- 342.14415 192.1
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.