CID 169492207

Sungeidine f

Structural Information

Molecular Formula
C30H21NO4S
SMILES
CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@H]4C5=C(C=CC=C25)C6=C7C=C[C@H]([C@@H](C7=C8C9=C(C=CC(=C69)N4C3)C(=O)S8)O)O
InChI
InChI=1S/C30H21NO4S/c1-11-9-19(33)21-12-3-2-4-13-22-14-6-8-18(32)28(34)25(14)29-24-15(30(35)36-29)5-7-17(26(22)24)31-10-16(21)20(11)27(31)23(12)13/h2-9,16,18,20-21,27-28,32,34H,10H2,1H3/t16-,18+,20-,21-,27+,28-/m0/s1
InChIKey
MFPKKZSDAGOGCM-WZCLLJMXSA-N
Compound name
(8R,9R,13R,14S,25R,26R)-25,26-dihydroxy-10-methyl-22-thia-16-azanonacyclo[18.9.2.02,7.06,13.08,16.09,14.017,30.023,31.024,29]hentriaconta-1(29),2(7),3,5,10,17(30),18,20(31),23,27-decaene-12,21-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.11914 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.12642 213.6
[M+Na]+ 514.10836 220.9
[M-H]- 490.11186 218.3
[M+NH4]+ 509.15296 229.9
[M+K]+ 530.08230 215.6
[M+H-H2O]+ 474.11640 209.9
[M+HCOO]- 536.11734 212.8
[M+CH3COO]- 550.13299 219.4
[M+Na-2H]- 512.09381 212.7
[M]+ 491.11859 217.5
[M]- 491.11969 217.5
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

No patent data available for this compound.