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

7
Patents

348.16046 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16774 184.5
[M+Na]+ 371.14968 191.4
[M-H]- 347.15318 190.4
[M+NH4]+ 366.19428 198.6
[M+K]+ 387.12362 186.3
[M+H-H2O]+ 331.15772 176.1
[M+HCOO]- 393.15866 193.6
[M+CH3COO]- 407.17431 211.3
[M+Na-2H]- 369.13513 182.2
[M]+ 348.15991 183.4
[M]- 348.16101 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