CID 108301

Brn 0565341

Structural Information

Molecular Formula
C19H25ClN2O3
SMILES
CC1CC2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)Cl)OC(=O)N1
InChI
InChI=1S/C19H25ClN2O3/c1-14-13-19(25-18(24)21-14)8-11-22(12-9-19)10-2-3-17(23)15-4-6-16(20)7-5-15/h4-7,14H,2-3,8-13H2,1H3,(H,21,24)
InChIKey
IZXVFHAPQVWKPX-UHFFFAOYSA-N
Compound name
9-[4-(4-chlorophenyl)-4-oxobutyl]-4-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15536 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16264 186.8
[M+Na]+ 387.14458 198.9
[M+NH4]+ 382.18918 194.7
[M+K]+ 403.11852 190.0
[M-H]- 363.14808 190.9
[M+Na-2H]- 385.13003 192.2
[M]+ 364.15481 189.9
[M]- 364.15591 189.9
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.