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

10
Patents

348.16046 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.167736 185.0
[M+Na]+ 371.149678 192.2
[M-H]- 347.153184 190.7
[M+NH4]+ 366.194283 199.1
[M+K]+ 387.123618 186.5
[M+H-H2O]+ 331.157720 176.2
[M+HCOO]- 393.158661 195.1
[M+CH3COO]- 407.174311 210.4
[M+Na-2H]- 369.135126 183.7
[M]+ 348.15991142 184.4
[M]- 348.16100858 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