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]+ 278.18630 163.8
[M+Na]+ 300.16824 164.5
[M-H]- 276.17174 170.2
[M+NH4]+ 295.21284 176.5
[M+K]+ 316.14218 165.5
[M+H-H2O]+ 260.17628 151.4
[M+HCOO]- 322.17722 180.7
[M+CH3COO]- 336.19287 207.4
[M+Na-2H]- 298.15369 166.8
[M]+ 277.17847 161.8
[M]- 277.17957 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.