CID 3057238

Dispiro(5.1.5.1)tetradecane-7,14-dione, monosemicarbazone

Structural Information

Molecular Formula
C15H23N3O2
SMILES
C1CCC2(CC1)C(=NNC(=O)N)C3(C2=O)CCCCC3
InChI
InChI=1S/C15H23N3O2/c16-13(20)18-17-11-14(7-3-1-4-8-14)12(19)15(11)9-5-2-6-10-15/h1-10H2,(H3,16,18,20)
InChIKey
VANQIUYYIFFVBS-UHFFFAOYSA-N
Compound name
[(14-oxodispiro[5.1.58.16]tetradecan-7-ylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.186296 163.8
[M+Na]+ 300.168238 164.5
[M-H]- 276.171744 170.2
[M+NH4]+ 295.212843 176.5
[M+K]+ 316.142178 165.5
[M+H-H2O]+ 260.176280 151.4
[M+HCOO]- 322.177221 180.7
[M+CH3COO]- 336.192871 207.4
[M+Na-2H]- 298.153686 166.8
[M]+ 277.17847142 161.8
[M]- 277.17956858 161.8
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.