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 187.1
[M+Na]+ 387.14458 191.6
[M-H]- 363.14808 190.7
[M+NH4]+ 382.18918 197.4
[M+K]+ 403.11852 186.6
[M+H-H2O]+ 347.15262 177.6
[M+HCOO]- 409.15356 192.7
[M+CH3COO]- 423.16921 210.6
[M+Na-2H]- 385.13003 187.1
[M]+ 364.15481 183.1
[M]- 364.15591 183.1
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.