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 164.7
[M+Na]+ 286.14135 168.0
[M-H]- 262.14485 165.9
[M+NH4]+ 281.18595 179.9
[M+K]+ 302.11529 165.6
[M+H-H2O]+ 246.14939 157.6
[M+HCOO]- 308.15033 184.8
[M+CH3COO]- 322.16598 197.3
[M+Na-2H]- 284.12680 165.7
[M]+ 263.15158 164.9
[M]- 263.15268 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