CID 3040373

52109-31-6

Structural Information

Molecular Formula
C21H32N2O
SMILES
CCC1C2(CCN(CC2)C3CCC4=CC=CC=C4C3)OCN1CC
InChI
InChI=1S/C21H32N2O/c1-3-20-21(24-16-22(20)4-2)11-13-23(14-12-21)19-10-9-17-7-5-6-8-18(17)15-19/h5-8,19-20H,3-4,9-16H2,1-2H3
InChIKey
JTNZLQZXOOINRG-UHFFFAOYSA-N
Compound name
3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.258736 184.6
[M+Na]+ 351.240678 188.2
[M-H]- 327.244184 190.0
[M+NH4]+ 346.285283 199.1
[M+K]+ 367.214618 183.8
[M+H-H2O]+ 311.248720 174.1
[M+HCOO]- 373.249661 194.8
[M+CH3COO]- 387.265311 192.6
[M+Na-2H]- 349.226126 183.5
[M]+ 328.25091142 177.8
[M]- 328.25200858 177.8
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.