CID 6434089

Cinnamamide, n,n-bis(2-hydroxyethyl)-4-chloro-

Structural Information

Molecular Formula
C13H16ClNO3
SMILES
C1=CC(=CC=C1/C=C/C(=O)N(CCO)CCO)Cl
InChI
InChI=1S/C13H16ClNO3/c14-12-4-1-11(2-5-12)3-6-13(18)15(7-9-16)8-10-17/h1-6,16-17H,7-10H2/b6-3+
InChIKey
UFDCJJCRRWOZJD-ZZXKWVIFSA-N
Compound name
(E)-3-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08188 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.089156 160.2
[M+Na]+ 292.071098 166.4
[M-H]- 268.074604 162.1
[M+NH4]+ 287.115703 176.5
[M+K]+ 308.045038 161.9
[M+H-H2O]+ 252.079140 154.6
[M+HCOO]- 314.080081 177.6
[M+CH3COO]- 328.095731 195.4
[M+Na-2H]- 290.056546 162.5
[M]+ 269.08133142 162.9
[M]- 269.08242858 162.9
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

No patent data available for this compound.