CID 214517

33328-53-9

Structural Information

Molecular Formula
C18H24N4S2
SMILES
CC(C)(CCCC#N)C1=NC2=C(S1)N=C(S2)C(C)(C)CCCC#N
InChI
InChI=1S/C18H24N4S2/c1-17(2,9-5-7-11-19)15-21-13-14(23-15)22-16(24-13)18(3,4)10-6-8-12-20/h5-10H2,1-4H3
InChIKey
DJXBOXJGVAEWPN-UHFFFAOYSA-N
Compound name
5-[5-(5-cyano-2-methylpentan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylhexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.14423 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15151 203.8
[M+Na]+ 383.13345 214.4
[M-H]- 359.13695 206.7
[M+NH4]+ 378.17805 214.6
[M+K]+ 399.10739 210.3
[M+H-H2O]+ 343.14149 188.0
[M+HCOO]- 405.14243 205.7
[M+CH3COO]- 419.15808 234.9
[M+Na-2H]- 381.11890 200.0
[M]+ 360.14368 201.3
[M]- 360.14478 201.3
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.