CID 6444347

Schembl29884915

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

21
Patents

286.13174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 168.0
[M+Na]+ 309.120958 173.0
[M-H]- 285.124464 169.7
[M+NH4]+ 304.165563 182.3
[M+K]+ 325.094898 168.1
[M+H-H2O]+ 269.129000 160.8
[M+HCOO]- 331.129941 190.3
[M+CH3COO]- 345.145591 204.1
[M+Na-2H]- 307.106406 168.7
[M]+ 286.13119142 167.0
[M]- 286.13228858 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