CID 116411

64048-15-3

Structural Information

Molecular Formula
C20H34N2O2S2
SMILES
CC(C)(CC(C)(C)C1=NC2=C(S1)N=C(S2)C(C)(C)CC(C)(C)CO)CO
InChI
InChI=1S/C20H34N2O2S2/c1-17(2,11-23)9-19(5,6)15-21-13-14(25-15)22-16(26-13)20(7,8)10-18(3,4)12-24/h23-24H,9-12H2,1-8H3
InChIKey
XWNZVGDZWLLXSJ-UHFFFAOYSA-N
Compound name
4-[5-(5-hydroxy-2,4,4-trimethylpentan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2,2,4-trimethylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.20618 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21346 202.9
[M+Na]+ 421.19540 209.9
[M-H]- 397.19890 202.4
[M+NH4]+ 416.24000 216.5
[M+K]+ 437.16934 205.5
[M+H-H2O]+ 381.20344 198.9
[M+HCOO]- 443.20438 205.4
[M+CH3COO]- 457.22003 217.7
[M+Na-2H]- 419.18085 203.2
[M]+ 398.20563 210.6
[M]- 398.20673 210.6
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.