CID 11749858

Abexinostat

Structural Information

Molecular Formula
C21H23N3O5
SMILES
CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO
InChI
InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKey
MAUCONCHVWBMHK-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

59
References

5985
Patents

397.16376 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17104 195.5
[M+Na]+ 420.15298 204.9
[M+NH4]+ 415.19758 200.4
[M+K]+ 436.12692 202.2
[M-H]- 396.15648 200.4
[M+Na-2H]- 418.13843 200.0
[M]+ 397.16321 197.8
[M]- 397.16431 197.8
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