CID 11225326

Griseoviridin

Structural Information

Molecular Formula
C22H27N3O7S
SMILES
C[C@@H]1C/C=C\2/C(=O)NC/C=C/C=C/[C@H](C[C@H](CC3=NC(=CO3)C(=O)N[C@H](CS2)C(=O)O1)O)O
InChI
InChI=1S/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14-,15-,17-/m1/s1
InChIKey
UXWOXTQWVMFRSE-JCSRQJCQSA-N
Compound name
(1S,9R,11S,12E,14E,19Z,22R)-9,11-dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

0
Patents

477.15698 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16426 223.4
[M+Na]+ 500.14620 219.5
[M-H]- 476.14970 220.8
[M+NH4]+ 495.19080 220.9
[M+K]+ 516.12014 219.3
[M+H-H2O]+ 460.15424 212.3
[M+HCOO]- 522.15518 221.0
[M+CH3COO]- 536.17083 221.0
[M+Na-2H]- 498.13165 220.7
[M]+ 477.15643 220.8
[M]- 477.15753 220.8
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.