CID 163034755

(1s,2s,13r,16s)-16-methyl-14-oxa-6-azatetracyclo[8.7.0.01,6.02,13]heptadeca-8,10-dien-15-one

Structural Information

Molecular Formula
C16H21NO2
SMILES
C[C@H]1C[C@@]23[C@@H]4CCCN2CC=CC3=CC[C@H]4OC1=O
InChI
InChI=1S/C16H21NO2/c1-11-10-16-12-4-2-8-17(16)9-3-5-13(16)14(7-6-12)19-15(11)18/h2,4,6,11,13-14H,3,5,7-10H2,1H3/t11-,13+,14+,16+/m0/s1
InChIKey
PCWKWZIZUOTFFN-ADSMDIBLSA-N
Compound name
(1S,2S,13R,16S)-16-methyl-14-oxa-6-azatetracyclo[8.7.0.01,6.02,13]heptadeca-8,10-dien-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 158.8
[M+Na]+ 282.146448 163.4
[M-H]- 258.149954 163.8
[M+NH4]+ 277.191053 176.6
[M+K]+ 298.120388 163.0
[M+H-H2O]+ 242.154490 151.4
[M+HCOO]- 304.155431 169.3
[M+CH3COO]- 318.171081 168.6
[M+Na-2H]- 280.131896 164.3
[M]+ 259.15668142 152.1
[M]- 259.15777858 152.1
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.