CID 24840754

102504-24-5

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CC1C2(CCN(CC2)CC3COC4=CC=CC=C4O3)OC(=O)N1C
InChI
InChI=1S/C18H24N2O4/c1-13-18(24-17(21)19(13)2)7-9-20(10-8-18)11-14-12-22-15-5-3-4-6-16(15)23-14/h3-6,13-14H,7-12H2,1-2H3
InChIKey
SDAZZIGHRCKJED-UHFFFAOYSA-N
Compound name
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 179.7
[M+Na]+ 355.16282 185.8
[M-H]- 331.16632 187.4
[M+NH4]+ 350.20742 191.4
[M+K]+ 371.13676 185.3
[M+H-H2O]+ 315.17086 170.7
[M+HCOO]- 377.17180 189.7
[M+CH3COO]- 391.18745 189.2
[M+Na-2H]- 353.14827 181.0
[M]+ 332.17305 177.4
[M]- 332.17415 177.4
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.