CID 5273477

N,n-bis(2-hydroxyethyl)cinnamamide

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)N(CCO)CCO
InChI
InChI=1S/C13H17NO3/c15-10-8-14(9-11-16)13(17)7-6-12-4-2-1-3-5-12/h1-7,15-16H,8-11H2/b7-6+
InChIKey
SELFEGODBFAHGT-VOTSOKGWSA-N
Compound name
(E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

235.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 155.1
[M+Na]+ 258.11007 159.5
[M-H]- 234.11357 156.6
[M+NH4]+ 253.15467 171.5
[M+K]+ 274.08401 157.0
[M+H-H2O]+ 218.11811 148.3
[M+HCOO]- 280.11905 176.9
[M+CH3COO]- 294.13470 190.4
[M+Na-2H]- 256.09552 158.4
[M]+ 235.12030 155.2
[M]- 235.12140 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe