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]+ 264.159406 164.7
[M+Na]+ 286.141348 168.0
[M-H]- 262.144854 165.9
[M+NH4]+ 281.185953 179.9
[M+K]+ 302.115288 165.6
[M+H-H2O]+ 246.149390 157.6
[M+HCOO]- 308.150331 184.8
[M+CH3COO]- 322.165981 197.3
[M+Na-2H]- 284.126796 165.7
[M]+ 263.15158142 164.9
[M]- 263.15267858 164.9
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