CID 6444347

Spinamycin

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C=C/C=C/C=C/C1=C(C(=CC=C1)C(CO)CO)C(=O)N=N
InChI
InChI=1S/C16H18N2O3/c1-2-3-4-5-7-12-8-6-9-14(13(10-19)11-20)15(12)16(21)18-17/h2-9,13,17,19-20H,1,10-11H2/b4-3+,7-5+,18-17?
InChIKey
HYIIDAABDYGOAY-PORXBIHVSA-N
Compound name
2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 169.6
[M+Na]+ 309.12096 177.8
[M+NH4]+ 304.16556 173.8
[M+K]+ 325.09490 172.3
[M-H]- 285.12446 169.4
[M+Na-2H]- 307.10641 172.0
[M]+ 286.13119 170.0
[M]- 286.13229 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.