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]+ 365.162636 187.1
[M+Na]+ 387.144578 191.6
[M-H]- 363.148084 190.7
[M+NH4]+ 382.189183 197.4
[M+K]+ 403.118518 186.6
[M+H-H2O]+ 347.152620 177.6
[M+HCOO]- 409.153561 192.7
[M+CH3COO]- 423.169211 210.6
[M+Na-2H]- 385.130026 187.1
[M]+ 364.15481142 183.1
[M]- 364.15590858 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.