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

15
Patents

274.13174 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 161.0
[M+Na]+ 297.120958 166.7
[M-H]- 273.124464 165.0
[M+NH4]+ 292.165563 169.5
[M+K]+ 313.094898 165.8
[M+H-H2O]+ 257.129000 147.5
[M+HCOO]- 319.129941 175.7
[M+CH3COO]- 333.145591 198.1
[M+Na-2H]- 295.106406 164.2
[M]+ 274.13119142 166.2
[M]- 274.13228858 166.2
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