CID 274317

Khd1mxf1ky

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1CC12C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2O/c20-16-17(11-12-17)15(13-7-3-1-4-8-13)18-19(16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
UAINZYUPUWLBEG-UHFFFAOYSA-N
Compound name
4,6-diphenyl-5,6-diazaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11063 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 164.1
[M+Na]+ 285.09985 175.1
[M-H]- 261.10335 174.1
[M+NH4]+ 280.14445 177.0
[M+K]+ 301.07379 169.7
[M+H-H2O]+ 245.10789 155.2
[M+HCOO]- 307.10883 186.2
[M+CH3COO]- 321.12448 176.1
[M+Na-2H]- 283.08530 168.8
[M]+ 262.11008 165.3
[M]- 262.11118 165.3
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.