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

181
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

literature stripe

Patent stripe

patents stripe