CID 134241459

Nevadistinel

Structural Information

Molecular Formula
C15H18N2O3
SMILES
COC1=CC=C(C=C1)CN2C[C@]3(C2=O)CCNC(=O)C3
InChI
InChI=1S/C15H18N2O3/c1-20-12-4-2-11(3-5-12)9-17-10-15(14(17)19)6-7-16-13(18)8-15/h2-5H,6-10H2,1H3,(H,16,18)/t15-/m0/s1
InChIKey
HMFZRGIXXDQHFG-HNNXBMFYSA-N
Compound name
(4S)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

274.13174 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 164.2
[M+Na]+ 297.12096 171.6
[M+NH4]+ 292.16556 168.2
[M+K]+ 313.09490 165.6
[M-H]- 273.12446 163.7
[M+Na-2H]- 295.10641 168.3
[M]+ 274.13119 163.9
[M]- 274.13229 163.9
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