CID 6442279

Brn 1987138

Structural Information

Molecular Formula
C15H21NO3
SMILES
C/C(=C\C1=CC=CC=C1)/CC(=O)N(CCO)CCO
InChI
InChI=1S/C15H21NO3/c1-13(11-14-5-3-2-4-6-14)12-15(19)16(7-9-17)8-10-18/h2-6,11,17-18H,7-10,12H2,1H3/b13-11+
InChIKey
MNZGTGCNSJEMPU-ACCUITESSA-N
Compound name
(E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.15213 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 164.2
[M+Na]+ 286.14135 172.7
[M+NH4]+ 281.18595 169.9
[M+K]+ 302.11529 167.8
[M-H]- 262.14485 164.4
[M+Na-2H]- 284.12680 167.7
[M]+ 263.15158 165.0
[M]- 263.15268 165.0
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