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 191.5
[M+Na]+ 401.16024 195.4
[M-H]- 377.16374 194.8
[M+NH4]+ 396.20484 201.1
[M+K]+ 417.13418 190.2
[M+H-H2O]+ 361.16828 181.7
[M+HCOO]- 423.16922 196.6
[M+CH3COO]- 437.18487 213.5
[M+Na-2H]- 399.14569 190.9
[M]+ 378.17047 187.8
[M]- 378.17157 187.8
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.