CID 16117309

Ivaltinostat

Structural Information

Molecular Formula
C24H33N3O4
SMILES
CN(C)CCCNC(=O)/C(=C/CCCCC(=O)NO)/COC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+
InChIKey
AUGCSOFQTDKPSO-RGVLZGJSSA-N
Compound name
(E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

565
Patents

427.2471 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.25438 206.8
[M+Na]+ 450.23632 212.8
[M+NH4]+ 445.28092 210.4
[M+K]+ 466.21026 207.2
[M-H]- 426.23982 207.8
[M+Na-2H]- 448.22177 208.4
[M]+ 427.24655 207.2
[M]- 427.24765 207.2
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