CID 448668

(s)-wiskostatin

Structural Information

Molecular Formula
C17H18Br2N2O
SMILES
CN(C)C[C@@H](CN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br)O
InChI
InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1
InChIKey
XUBJEDZHBUPBKL-ZDUSSCGKSA-N
Compound name
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

93
Patents

423.97858 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.98586 177.5
[M+Na]+ 446.96780 187.7
[M-H]- 422.97130 184.7
[M+NH4]+ 442.01240 194.5
[M+K]+ 462.94174 172.5
[M+H-H2O]+ 406.97584 184.2
[M+HCOO]- 468.97678 191.4
[M+CH3COO]- 482.99243 189.4
[M+Na-2H]- 444.95325 181.2
[M]+ 423.97803 213.9
[M]- 423.97913 213.9
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

patents stripe