CID 11724381

Dehydrosenecionine

Structural Information

Molecular Formula
C18H23NO5
SMILES
C/C=C\1/C[C@H]([C@@](C(=O)OCC2=C3[C@@H](CCN3C=C2)OC1=O)(C)O)C
InChI
InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,7,11,14,22H,6,8-10H2,1-3H3/b12-4-/t11-,14-,18-/m1/s1
InChIKey
UFHUKMOBKQSATC-LVXQNXKVSA-N
Compound name
(1R,4Z,6R,7R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-diene-3,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15762 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16490 172.9
[M+Na]+ 356.14684 181.2
[M-H]- 332.15034 174.8
[M+NH4]+ 351.19144 187.9
[M+K]+ 372.12078 180.2
[M+H-H2O]+ 316.15488 172.8
[M+HCOO]- 378.15582 185.3
[M+CH3COO]- 392.17147 203.1
[M+Na-2H]- 354.13229 172.0
[M]+ 333.15707 172.0
[M]- 333.15817 172.0
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.