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]+ 329.25874 184.6
[M+Na]+ 351.24068 188.2
[M-H]- 327.24418 190.0
[M+NH4]+ 346.28528 199.1
[M+K]+ 367.21462 183.8
[M+H-H2O]+ 311.24872 174.1
[M+HCOO]- 373.24966 194.8
[M+CH3COO]- 387.26531 192.6
[M+Na-2H]- 349.22613 183.5
[M]+ 328.25091 177.8
[M]- 328.25201 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.