CID 214518

33328-55-1

Structural Information

Molecular Formula
C18H28N4O2S2
SMILES
CC(C)(CCCC(=O)N)C1=NC2=C(S1)N=C(S2)C(C)(C)CCCC(=O)N
InChI
InChI=1S/C18H28N4O2S2/c1-17(2,9-5-7-11(19)23)15-21-13-14(25-15)22-16(26-13)18(3,4)10-6-8-12(20)24/h5-10H2,1-4H3,(H2,19,23)(H2,20,24)
InChIKey
QJZPXEIVXCBOAD-UHFFFAOYSA-N
Compound name
5-[5-(6-amino-2-methyl-6-oxohexan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17265 197.6
[M+Na]+ 419.15459 203.8
[M-H]- 395.15809 198.5
[M+NH4]+ 414.19919 210.9
[M+K]+ 435.12853 199.1
[M+H-H2O]+ 379.16263 191.7
[M+HCOO]- 441.16357 205.2
[M+CH3COO]- 455.17922 224.2
[M+Na-2H]- 417.14004 195.1
[M]+ 396.16482 203.4
[M]- 396.16592 203.4
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.