CID 172879909

Chebi:233179

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CN[C@H]1CC2(CCC(=O)CC2)N(C1)[C@@H](CC3=CC=C(C=C3)OC)C=O
InChI
InChI=1S/C20H28N2O3/c1-21-16-12-20(9-7-18(24)8-10-20)22(13-16)17(14-23)11-15-3-5-19(25-2)6-4-15/h3-6,14,16-17,21H,7-13H2,1-2H3/t16-,17-/m0/s1
InChIKey
QHROAFYTLYNBEG-IRXDYDNUSA-N
Compound name
(2S)-3-(4-methoxyphenyl)-2-[(3S)-3-(methylamino)-8-oxo-1-azaspiro[4.5]decan-1-yl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21728 183.5
[M+Na]+ 367.19922 187.1
[M-H]- 343.20272 189.7
[M+NH4]+ 362.24382 198.8
[M+K]+ 383.17316 183.3
[M+H-H2O]+ 327.20726 174.9
[M+HCOO]- 389.20820 200.4
[M+CH3COO]- 403.22385 213.8
[M+Na-2H]- 365.18467 182.4
[M]+ 344.20945 180.0
[M]- 344.21055 180.0
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

No patent data available for this compound.