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]+ 277.133526 168.1
[M+Na]+ 299.115468 179.5
[M-H]- 275.118974 178.2
[M+NH4]+ 294.160073 180.7
[M+K]+ 315.089408 173.8
[M+H-H2O]+ 259.123510 159.2
[M+HCOO]- 321.124451 189.8
[M+CH3COO]- 335.140101 180.0
[M+Na-2H]- 297.100916 171.6
[M]+ 276.12570142 170.0
[M]- 276.12679858 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.