CID 214514

2-hexanone, 5,5'-thiazolo(5,4-d)thiazole-2,5-diylbis(5-methyl-

Structural Information

Molecular Formula
C18H26N2O2S2
SMILES
CC(=O)CCC(C)(C)C1=NC2=C(S1)N=C(S2)C(C)(C)CCC(=O)C
InChI
InChI=1S/C18H26N2O2S2/c1-11(21)7-9-17(3,4)15-19-13-14(23-15)20-16(24-13)18(5,6)10-8-12(2)22/h7-10H2,1-6H3
InChIKey
KFDIYXKEXSLCTH-UHFFFAOYSA-N
Compound name
5-methyl-5-[5-(2-methyl-5-oxohexan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1436 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15088 192.2
[M+Na]+ 389.13282 200.7
[M-H]- 365.13632 194.7
[M+NH4]+ 384.17742 208.2
[M+K]+ 405.10676 196.8
[M+H-H2O]+ 349.14086 187.3
[M+HCOO]- 411.14180 199.4
[M+CH3COO]- 425.15745 215.5
[M+Na-2H]- 387.11827 189.0
[M]+ 366.14305 201.7
[M]- 366.14415 201.7
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.