CID 10332932

Dehydro-4-methoxycyclobrassinin

Structural Information

Molecular Formula
C12H10N2OS2
SMILES
COC1=CC=CC2=C1C3=CN=C(SC3=N2)SC
InChI
InChI=1S/C12H10N2OS2/c1-15-9-5-3-4-8-10(9)7-6-13-12(16-2)17-11(7)14-8/h3-6H,1-2H3
InChIKey
JDYSKRAQSOYTDY-UHFFFAOYSA-N
Compound name
5-methoxy-2-methylsulfanyl-[1,3]thiazino[6,5-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

262.02347 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.030746 151.4
[M+Na]+ 285.012688 165.2
[M-H]- 261.016194 155.5
[M+NH4]+ 280.057293 171.4
[M+K]+ 300.986628 159.7
[M+H-H2O]+ 245.020730 146.1
[M+HCOO]- 307.021671 164.5
[M+CH3COO]- 321.037321 165.0
[M+Na-2H]- 282.998136 155.7
[M]+ 262.02292142 159.6
[M]- 262.02401858 159.6
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