CID 5361132

Dtxsid00966132

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC(=O)O[C@@H]1[C@H]2[C@H](CC3CCC2N3C)C4=CC=CC=C14
InChI
InChI=1S/C17H21NO2/c1-10(19)20-17-13-6-4-3-5-12(13)14-9-11-7-8-15(16(14)17)18(11)2/h3-6,11,14-17H,7-9H2,1-2H3/t11?,14-,15?,16+,17+/m1/s1
InChIKey
PORPKLFECJCQEU-YAYXIMLISA-N
Compound name
[(2S,3R,10S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-trien-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 165.4
[M+Na]+ 294.146448 172.8
[M-H]- 270.149954 168.6
[M+NH4]+ 289.191053 187.9
[M+K]+ 310.120388 168.4
[M+H-H2O]+ 254.154490 159.7
[M+HCOO]- 316.155431 180.2
[M+CH3COO]- 330.171081 176.5
[M+Na-2H]- 292.131896 165.5
[M]+ 271.15668142 165.4
[M]- 271.15777858 165.4
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.