CID 444732

Trichostatin a

Structural Information

Molecular Formula
C17H22N2O3
SMILES
C[C@H](/C=C(\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
InChIKey
RTKIYFITIVXBLE-QEQCGCAPSA-N
Compound name
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3583
References

33312
Patents

302.16306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 174.1
[M+Na]+ 325.15228 181.2
[M+NH4]+ 320.19688 178.4
[M+K]+ 341.12622 177.6
[M-H]- 301.15578 174.0
[M+Na-2H]- 323.13773 176.3
[M]+ 302.16251 174.5
[M]- 302.16361 174.5
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