CID 10266117

Tricostatin

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C[C@H](/C=C/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C16H20N2O3/c1-12(6-4-5-7-15(19)17-21)16(20)13-8-10-14(11-9-13)18(2)3/h4-12,21H,1-3H3,(H,17,19)/b6-4+,7-5+/t12-/m1/s1
InChIKey
WCAWZARVUUEHRX-FRKDHNBESA-N
Compound name
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-6-methyl-7-oxohepta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

302
Patents

288.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 170.0
[M+Na]+ 311.13662 173.7
[M-H]- 287.14012 172.9
[M+NH4]+ 306.18122 184.6
[M+K]+ 327.11056 171.5
[M+H-H2O]+ 271.14466 162.6
[M+HCOO]- 333.14560 191.7
[M+CH3COO]- 347.16125 207.8
[M+Na-2H]- 309.12207 169.4
[M]+ 288.14685 170.0
[M]- 288.14795 170.0
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

patents stripe