CID 102492342

Flueggenine d

Structural Information

Molecular Formula
C24H26N2O4
SMILES
C1C[C@@H]2[C@]34C[C@H](N2C1)C=CC3=C(C(=O)O4)[C@H]5CC6=CC(=O)O[C@@]67C[C@@H]5N8[C@@H]7CCC8
InChI
InChI=1S/C24H26N2O4/c27-20-10-13-9-15(17-12-23(13,29-20)18-3-2-8-26(17)18)21-16-6-5-14-11-24(16,30-22(21)28)19-4-1-7-25(14)19/h5-6,10,14-15,17-19H,1-4,7-9,11-12H2/t14-,15+,17+,18-,19-,23+,24+/m1/s1
InChIKey
NQFIEVOKDJZASR-ISNYVNCWSA-N
Compound name
(1S,8S,13R)-4-[(1S,7R,8S,13R)-3-oxo-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradec-4-en-7-yl]-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18927 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19655 183.1
[M+Na]+ 429.17849 189.9
[M-H]- 405.18199 193.1
[M+NH4]+ 424.22309 207.4
[M+K]+ 445.15243 186.3
[M+H-H2O]+ 389.18653 181.6
[M+HCOO]- 451.18747 191.3
[M+CH3COO]- 465.20312 192.7
[M+Na-2H]- 427.16394 173.6
[M]+ 406.18872 184.0
[M]- 406.18982 184.0
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.