CID 6918837

Panobinostat

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO
InChI
InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
InChIKey
FPOHNWQLNRZRFC-ZHACJKMWSA-N
Compound name
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

748
References

16007
Patents

349.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 183.5
[M+Na]+ 372.16824 189.5
[M-H]- 348.17174 187.3
[M+NH4]+ 367.21284 196.1
[M+K]+ 388.14218 182.1
[M+H-H2O]+ 332.17628 174.8
[M+HCOO]- 394.17722 205.0
[M+CH3COO]- 408.19287 213.8
[M+Na-2H]- 370.15369 186.4
[M]+ 349.17847 183.3
[M]- 349.17957 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.