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
3
Annotation Hits

0
References

27
Patents

318.19434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.201616 180.6
[M+Na]+ 341.183558 183.2
[M-H]- 317.187064 183.1
[M+NH4]+ 336.228163 194.1
[M+K]+ 357.157498 181.1
[M+H-H2O]+ 301.191600 172.7
[M+HCOO]- 363.192541 201.5
[M+CH3COO]- 377.208191 214.6
[M+Na-2H]- 339.169006 179.0
[M]+ 318.19379142 182.0
[M]- 318.19488858 182.0
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