CID 20056306

Serratidine

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1C[C@]2(CC(=O)[C@H]3CCCN4[C@]3(C1)C2=CCC4)O
InChI
InChI=1S/C16H23NO2/c1-11-8-15(19)10-13(18)12-4-2-6-17-7-3-5-14(15)16(12,17)9-11/h5,11-12,19H,2-4,6-10H2,1H3/t11?,12-,15-,16+/m1/s1
InChIKey
SEWDNOQXMYWSRQ-ARQBPDDDSA-N
Compound name
(1S,10S,13R)-13-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

261.17288 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 162.9
[M+Na]+ 284.162098 167.5
[M-H]- 260.165604 164.2
[M+NH4]+ 279.206703 184.0
[M+K]+ 300.136038 163.1
[M+H-H2O]+ 244.170140 154.4
[M+HCOO]- 306.171081 171.0
[M+CH3COO]- 320.186731 171.8
[M+Na-2H]- 282.147546 167.6
[M]+ 261.17233142 155.4
[M]- 261.17342858 155.4
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

patents stripe