CID 3040372

Brn 1002283

Structural Information

Molecular Formula
C20H30N2O
SMILES
CCC1C2(CCN(CC2)C3CCC4=CC=CC=C4C3)OCCN1
InChI
InChI=1S/C20H30N2O/c1-2-19-20(23-14-11-21-19)9-12-22(13-10-20)18-8-7-16-5-3-4-6-17(16)15-18/h3-6,18-19,21H,2,7-15H2,1H3
InChIKey
LLICSZUHKFMHBD-UHFFFAOYSA-N
Compound name
5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2358 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 180.3
[M+Na]+ 337.22502 181.9
[M-H]- 313.22852 183.6
[M+NH4]+ 332.26962 192.2
[M+K]+ 353.19896 177.1
[M+H-H2O]+ 297.23306 168.8
[M+HCOO]- 359.23400 187.0
[M+CH3COO]- 373.24965 186.8
[M+Na-2H]- 335.21047 182.0
[M]+ 314.23525 168.7
[M]- 314.23635 168.7
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.