CID 10895165

(4s)-4-methyl-2-[(4r)-4-methyl-2-propan-2-yl-5h-1,3-thiazol-4-yl]-4-[(4s)-4-methyl-4-(1,3-thiazol-2-yl)-5h-1,3-thiazol-2-yl]-5h-1,3-thiazole

Structural Information

Molecular Formula
C18H24N4S4
SMILES
CC(C)C1=N[C@@](CS1)(C)C2=N[C@](CS2)(C)C3=N[C@](CS3)(C)C4=NC=CS4
InChI
InChI=1S/C18H24N4S4/c1-11(2)12-20-17(4,8-24-12)14-22-18(5,10-26-14)15-21-16(3,9-25-15)13-19-6-7-23-13/h6-7,11H,8-10H2,1-5H3/t16-,17+,18-/m0/s1
InChIKey
AAZNLXXTBVTBKQ-KSZLIROESA-N
Compound name
(4S)-4-methyl-2-[(4R)-4-methyl-2-propan-2-yl-5H-1,3-thiazol-4-yl]-4-[(4S)-4-methyl-4-(1,3-thiazol-2-yl)-5H-1,3-thiazol-2-yl]-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.08838 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.09566 182.2
[M+Na]+ 447.07760 195.4
[M-H]- 423.08110 190.3
[M+NH4]+ 442.12220 201.5
[M+K]+ 463.05154 191.4
[M+H-H2O]+ 407.08564 181.5
[M+HCOO]- 469.08658 183.3
[M+CH3COO]- 483.10223 192.5
[M+Na-2H]- 445.06305 178.5
[M]+ 424.08783 185.9
[M]- 424.08893 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.