CID 3032393

1328-95-6

Structural Information

Molecular Formula
C16H23NO3
SMILES
CO[C@@H]1C[C@]23[C@H]4CC(=O)OCC4CCN2CCC3C=C1
InChI
InChI=1S/C16H23NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,11-14H,4-10H2,1H3/t11?,12?,13-,14-,16-/m0/s1
InChIKey
JRWMALIEYNAISC-ZAYBOEDYSA-N
Compound name
(1S,2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 164.2
[M+Na]+ 300.15702 168.9
[M-H]- 276.16052 168.5
[M+NH4]+ 295.20162 183.5
[M+K]+ 316.13096 166.4
[M+H-H2O]+ 260.16506 156.4
[M+HCOO]- 322.16600 174.9
[M+CH3COO]- 336.18165 174.0
[M+Na-2H]- 298.14247 166.7
[M]+ 277.16725 159.3
[M]- 277.16835 159.3
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.