CID 49855250

Pracinostat

Structural Information

Molecular Formula
C20H30N4O2
SMILES
CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)/C=C/C(=O)NO
InChI
InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
InChIKey
JHDKZFFAIZKUCU-ZRDIBKRKSA-N
Compound name
(E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

51
References

3439
Patents

358.23688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24416 190.9
[M+Na]+ 381.22610 196.7
[M-H]- 357.22960 192.5
[M+NH4]+ 376.27070 203.8
[M+K]+ 397.20004 192.1
[M+H-H2O]+ 341.23414 181.7
[M+HCOO]- 403.23508 212.1
[M+CH3COO]- 417.25073 223.0
[M+Na-2H]- 379.21155 191.5
[M]+ 358.23633 196.4
[M]- 358.23743 196.4
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