CID 10220017

Cg-1521

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1=CC=C(C=C1)/C=C/C=C/C=C/C(=O)NO
InChI
InChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15)/b2-1+,8-4+,11-7+
InChIKey
DBBYYRWVNDQECM-CDWOPPGASA-N
Compound name
(2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

251
Patents

215.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 149.5
[M+Na]+ 238.083858 155.1
[M-H]- 214.087364 151.1
[M+NH4]+ 233.128463 166.9
[M+K]+ 254.057798 150.3
[M+H-H2O]+ 198.091900 143.1
[M+HCOO]- 260.092841 172.6
[M+CH3COO]- 274.108491 184.4
[M+Na-2H]- 236.069306 154.1
[M]+ 215.09409142 147.3
[M]- 215.09518858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe