CID 70676597

Hdac8-in-1

Structural Information

Molecular Formula
C22H19NO3
SMILES
COC1=CC(=C(C=C1)/C=C/C(=O)NO)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+
InChIKey
ASHPRZYGCOMVHO-WYMLVPIESA-N
Compound name
(E)-N-hydroxy-3-[4-methoxy-2-(4-phenylphenyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

345.1365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.143776 182.8
[M+Na]+ 368.125718 188.7
[M-H]- 344.129224 191.1
[M+NH4]+ 363.170323 194.5
[M+K]+ 384.099658 182.9
[M+H-H2O]+ 328.133760 173.2
[M+HCOO]- 390.134701 205.2
[M+CH3COO]- 404.150351 212.2
[M+Na-2H]- 366.111166 185.7
[M]+ 345.13595142 182.6
[M]- 345.13704858 182.6
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