CID 184579

Cyclobrassinin

Structural Information

Molecular Formula
C11H10N2S2
SMILES
CSC1=NCC2=C(S1)NC3=CC=CC=C23
InChI
InChI=1S/C11H10N2S2/c1-14-11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3
InChIKey
MVMVWNMQGBYIDM-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

26
Patents

234.02853 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03581 143.4
[M+Na]+ 257.01775 155.9
[M-H]- 233.02125 145.7
[M+NH4]+ 252.06235 163.7
[M+K]+ 272.99169 149.5
[M+H-H2O]+ 217.02579 138.7
[M+HCOO]- 279.02673 153.9
[M+CH3COO]- 293.04238 156.3
[M+Na-2H]- 255.00320 147.6
[M]+ 234.02798 146.5
[M]- 234.02908 146.5
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

patents stripe