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 161.0
[M+Na]+ 297.12096 166.7
[M-H]- 273.12446 165.0
[M+NH4]+ 292.16556 169.5
[M+K]+ 313.09490 165.8
[M+H-H2O]+ 257.12900 147.5
[M+HCOO]- 319.12994 175.7
[M+CH3COO]- 333.14559 198.1
[M+Na-2H]- 295.10641 164.2
[M]+ 274.13119 166.2
[M]- 274.13229 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