CID 169492202

Sungeidine b

Structural Information

Molecular Formula
C30H21NO3S
SMILES
CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@H](C4=CC=CC=C24)N(C3)C5=C6C=C7C=CC(=CC7=C8C6=C(C=C5)C(=O)S8)O
InChI
InChI=1S/C30H21NO3S/c1-14-10-24(33)26-17-4-2-3-5-18(17)28-25(14)22(26)13-31(28)23-9-8-19-27-21(23)11-15-6-7-16(32)12-20(15)29(27)35-30(19)34/h2-12,22,25-26,28,32H,13H2,1H3/t22-,25-,26-,28-/m0/s1
InChIKey
QGPZBTSBJQUOSK-FKPYENBGSA-N
Compound name
(2R,5S,6R,10R)-3-(4-hydroxy-14-oxo-15-thiatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9,11,13(16)-heptaen-10-yl)-7-methyl-3-azatetracyclo[9.4.0.02,6.05,10]pentadeca-1(15),7,11,13-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.1242 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.13148 208.8
[M+Na]+ 498.11342 218.5
[M-H]- 474.11692 216.8
[M+NH4]+ 493.15802 224.9
[M+K]+ 514.08736 210.6
[M+H-H2O]+ 458.12146 200.9
[M+HCOO]- 520.12240 214.9
[M+CH3COO]- 534.13805 216.9
[M+Na-2H]- 496.09887 207.7
[M]+ 475.12365 214.3
[M]- 475.12475 214.3
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.