CID 474692

(2r)-5-methyl-2,6-diphenyl-5,7-diazaspiro[2.4]hept-6-en-4-one

Structural Information

Molecular Formula
C18H16N2O
SMILES
CN1C(=NC2(C1=O)C[C@@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H16N2O/c1-20-16(14-10-6-3-7-11-14)19-18(17(20)21)12-15(18)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3/t15-,18?/m1/s1
InChIKey
MGNFGIARVYFBIT-NNJIEVJOSA-N
Compound name
(2R)-6-methyl-2,5-diphenyl-4,6-diazaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.12625 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 168.1
[M+Na]+ 299.11547 179.5
[M-H]- 275.11897 178.2
[M+NH4]+ 294.16007 180.7
[M+K]+ 315.08941 173.8
[M+H-H2O]+ 259.12351 159.2
[M+HCOO]- 321.12445 189.8
[M+CH3COO]- 335.14010 180.0
[M+Na-2H]- 297.10092 171.6
[M]+ 276.12570 170.0
[M]- 276.12680 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.