CID 3077269

1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-(1,1-dimethylethyl)-4-methylene-

Structural Information

Molecular Formula
C20H27ClN2O2
SMILES
CC(C)(C)N1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC1=O
InChI
InChI=1S/C20H27ClN2O2/c1-15-20(25-18(24)23(15)19(2,3)4)10-13-22(14-11-20)12-9-16-5-7-17(21)8-6-16/h5-8H,1,9-14H2,2-4H3
InChIKey
LOADWIZXKJIFQN-UHFFFAOYSA-N
Compound name
3-tert-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

362.17612 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18340 189.5
[M+Na]+ 385.16534 196.7
[M-H]- 361.16884 195.5
[M+NH4]+ 380.20994 203.3
[M+K]+ 401.13928 191.5
[M+H-H2O]+ 345.17338 181.5
[M+HCOO]- 407.17432 197.7
[M+CH3COO]- 421.18997 213.2
[M+Na-2H]- 383.15079 188.9
[M]+ 362.17557 188.8
[M]- 362.17667 188.8
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

patents stripe