CID 214497

Ibazoleamide

Structural Information

Molecular Formula
C16H24N4O2S2
SMILES
CC(C)(CCC(=O)N)C1=NC2=C(S1)N=C(S2)C(C)(C)CCC(=O)N
InChI
InChI=1S/C16H24N4O2S2/c1-15(2,7-5-9(17)21)13-19-11-12(23-13)20-14(24-11)16(3,4)8-6-10(18)22/h5-8H2,1-4H3,(H2,17,21)(H2,18,22)
InChIKey
WWPNBFCJDHRDJK-UHFFFAOYSA-N
Compound name
4-[5-(5-amino-2-methyl-5-oxopentan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.13406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14134 189.5
[M+Na]+ 391.12328 196.7
[M-H]- 367.12678 190.8
[M+NH4]+ 386.16788 203.9
[M+K]+ 407.09722 192.3
[M+H-H2O]+ 351.13132 184.0
[M+HCOO]- 413.13226 197.8
[M+CH3COO]- 427.14791 218.5
[M+Na-2H]- 389.10873 187.7
[M]+ 368.13351 194.7
[M]- 368.13461 194.7
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.