CID 108302

Brn 0566899

Structural Information

Molecular Formula
C20H27ClN2O3
SMILES
CCC1CC2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)Cl)OC(=O)N1
InChI
InChI=1S/C20H27ClN2O3/c1-2-17-14-20(26-19(25)22-17)9-12-23(13-10-20)11-3-4-18(24)15-5-7-16(21)8-6-15/h5-8,17H,2-4,9-14H2,1H3,(H,22,25)
InChIKey
GHXJLRSWSPXVAN-UHFFFAOYSA-N
Compound name
9-[4-(4-chlorophenyl)-4-oxobutyl]-4-ethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.17102 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17830 191.2
[M+Na]+ 401.16024 203.1
[M+NH4]+ 396.20484 198.9
[M+K]+ 417.13418 193.9
[M-H]- 377.16374 195.3
[M+Na-2H]- 399.14569 196.4
[M]+ 378.17047 194.3
[M]- 378.17157 194.3
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.