CID 210989

21,22-alpha-epoxyvomicine

Structural Information

Molecular Formula
C22H24N2O5
SMILES
CN1CCC23C4C5C(CC2=O)C6(C1)C(O6)COC5CC(=O)N4C7=C3C=CC=C7O
InChI
InChI=1S/C22H24N2O5/c1-23-6-5-21-11-3-2-4-13(25)19(11)24-17(27)8-14-18(20(21)24)12(7-15(21)26)22(10-23)16(29-22)9-28-14/h2-4,12,14,16,18,20,25H,5-10H2,1H3
InChIKey
LNLMCLDEZUWTRG-UHFFFAOYSA-N
Compound name
16-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16852 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17580 172.6
[M+Na]+ 419.15774 172.6
[M+NH4]+ 414.20234 172.6
[M+K]+ 435.13168 172.4
[M-H]- 395.16124 172.6
[M+Na-2H]- 417.14319 172.4
[M]+ 396.16797 172.6
[M]- 396.16907 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.