CID 108650

Brn 0560045

Structural Information

Molecular Formula
C18H23ClN2O3
SMILES
C1CNC(=O)OC12CCN(CC2)CCCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H23ClN2O3/c19-15-5-3-14(4-6-15)16(22)2-1-11-21-12-8-18(9-13-21)7-10-20-17(23)24-18/h3-6H,1-2,7-13H2,(H,20,23)
InChIKey
RHFVHKHSFGQHJO-UHFFFAOYSA-N
Compound name
9-[4-(4-chlorophenyl)-4-oxobutyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1397 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14698 182.7
[M+Na]+ 373.12892 186.6
[M-H]- 349.13242 186.1
[M+NH4]+ 368.17352 193.2
[M+K]+ 389.10286 181.8
[M+H-H2O]+ 333.13696 173.1
[M+HCOO]- 395.13790 188.6
[M+CH3COO]- 409.15355 206.4
[M+Na-2H]- 371.11437 183.8
[M]+ 350.13915 177.9
[M]- 350.14025 177.9
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.