CID 162952601

(1s,2r,9s,10s,12s)-12-ethoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCO[C@H]1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CCCC4=O
InChI
InChI=1S/C17H28N2O2/c1-2-21-14-6-7-18-10-12-8-13(16(18)9-14)11-19-15(12)4-3-5-17(19)20/h12-16H,2-11H2,1H3/t12-,13-,14-,15+,16-/m0/s1
InChIKey
ZMZWSDSAHBYZTQ-GVRJEKJASA-N
Compound name
(1S,2R,9S,10S,12S)-12-ethoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 170.8
[M+Na]+ 315.204318 173.2
[M-H]- 291.207824 169.7
[M+NH4]+ 310.248923 186.5
[M+K]+ 331.178258 168.9
[M+H-H2O]+ 275.212360 161.2
[M+HCOO]- 337.213301 176.1
[M+CH3COO]- 351.228951 177.8
[M+Na-2H]- 313.189766 172.5
[M]+ 292.21455142 162.9
[M]- 292.21564858 162.9
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.