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 168.0
[M+Na]+ 309.12096 173.0
[M-H]- 285.12446 169.7
[M+NH4]+ 304.16556 182.3
[M+K]+ 325.09490 168.1
[M+H-H2O]+ 269.12900 160.8
[M+HCOO]- 331.12994 190.3
[M+CH3COO]- 345.14559 204.1
[M+Na-2H]- 307.10641 168.7
[M]+ 286.13119 167.0
[M]- 286.13229 167.0
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

patents stripe