CID 11380658

(r)-trichostatic acid

Structural Information

Molecular Formula
C17H21NO3
SMILES
C[C@H](/C=C(\C)/C=C/C(=O)O)C(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m1/s1
InChIKey
VKEITMNFEJHFCX-QEQCGCAPSA-N
Compound name
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

287.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 169.2
[M+Na]+ 310.14135 173.2
[M-H]- 286.14485 172.1
[M+NH4]+ 305.18595 184.2
[M+K]+ 326.11529 171.1
[M+H-H2O]+ 270.14939 162.3
[M+HCOO]- 332.15033 188.6
[M+CH3COO]- 346.16598 207.2
[M+Na-2H]- 308.12680 166.7
[M]+ 287.15158 169.9
[M]- 287.15268 169.9
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.