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 209.6
[M+Na]+ 514.10836 221.6
[M+NH4]+ 509.15296 219.4
[M+K]+ 530.08230 215.7
[M-H]- 490.11186 211.9
[M+Na-2H]- 512.09381 205.5
[M]+ 491.11859 212.7
[M]- 491.11969 212.7
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.