CID 3077257

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

Structural Information

Molecular Formula
C19H25ClN2O2
SMILES
CC(C)N1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC1=O
InChI
InChI=1S/C19H25ClN2O2/c1-14(2)22-15(3)19(24-18(22)23)9-12-21(13-10-19)11-8-16-4-6-17(20)7-5-16/h4-7,14H,3,8-13H2,1-2H3
InChIKey
YURMCNKYZHOCKP-UHFFFAOYSA-N
Compound name
8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-propan-2-yl-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

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.167736 184.5
[M+Na]+ 371.149678 191.4
[M-H]- 347.153184 190.4
[M+NH4]+ 366.194283 198.6
[M+K]+ 387.123618 186.3
[M+H-H2O]+ 331.157720 176.1
[M+HCOO]- 393.158661 193.6
[M+CH3COO]- 407.174311 211.3
[M+Na-2H]- 369.135126 182.2
[M]+ 348.15991142 183.4
[M]- 348.16100858 183.4
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