CID 23730084

Vsn-16r

Structural Information

Molecular Formula
C18H26N2O3
SMILES
C[C@H](CO)NC(=O)C1=CC=CC(=C1)/C=C\CCCC(=O)N(C)C
InChI
InChI=1S/C18H26N2O3/c1-14(13-21)19-18(23)16-10-7-9-15(12-16)8-5-4-6-11-17(22)20(2)3/h5,7-10,12,14,21H,4,6,11,13H2,1-3H3,(H,19,23)/b8-5-/t14-/m1/s1
InChIKey
SVYRYFAUQHVGAI-BMWLXYDHSA-N
Compound name
3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

34
Patents

318.19434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 179.8
[M+Na]+ 341.18356 187.0
[M+NH4]+ 336.22816 184.4
[M+K]+ 357.15750 182.4
[M-H]- 317.18706 180.1
[M+Na-2H]- 339.16901 182.1
[M]+ 318.19379 180.4
[M]- 318.19489 180.4
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