CID 6434089

Brn 2273906

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]+ 270.08916 160.2
[M+Na]+ 292.07110 166.4
[M-H]- 268.07460 162.1
[M+NH4]+ 287.11570 176.5
[M+K]+ 308.04504 161.9
[M+H-H2O]+ 252.07914 154.6
[M+HCOO]- 314.08008 177.6
[M+CH3COO]- 328.09573 195.4
[M+Na-2H]- 290.05655 162.5
[M]+ 269.08133 162.9
[M]- 269.08243 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.