CID 3077277

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

Structural Information

Molecular Formula
C19H25ClN2O2
SMILES
CCCN1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC1=O
InChI
InChI=1S/C19H25ClN2O2/c1-3-11-22-15(2)19(24-18(22)23)9-13-21(14-10-19)12-8-16-4-6-17(20)7-5-16/h4-7H,2-3,8-14H2,1H3
InChIKey
TXEQTWHQBFSHBT-UHFFFAOYSA-N
Compound name
8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

348.16046 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16774 185.0
[M+Na]+ 371.14968 192.2
[M-H]- 347.15318 190.7
[M+NH4]+ 366.19428 199.1
[M+K]+ 387.12362 186.5
[M+H-H2O]+ 331.15772 176.2
[M+HCOO]- 393.15866 195.1
[M+CH3COO]- 407.17431 210.4
[M+Na-2H]- 369.13513 183.7
[M]+ 348.15991 184.4
[M]- 348.16101 184.4
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