CID 3045018

Acetamide, 2,2-bis(4-chlorophenoxy)-n-(1,1-bis(hydroxymethyl)-2-hydroxyethyl)-

Structural Information

Molecular Formula
C18H19Cl2NO6
SMILES
C1=CC(=CC=C1OC(C(=O)NC(CO)(CO)CO)OC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H19Cl2NO6/c19-12-1-5-14(6-2-12)26-17(27-15-7-3-13(20)4-8-15)16(25)21-18(9-22,10-23)11-24/h1-8,17,22-24H,9-11H2,(H,21,25)
InChIKey
ARATUNSVSBAXHV-UHFFFAOYSA-N
Compound name
2,2-bis(4-chlorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.05893 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.06621 191.6
[M+Na]+ 438.04815 201.9
[M+NH4]+ 433.09275 196.1
[M+K]+ 454.02209 197.3
[M-H]- 414.05165 191.9
[M+Na-2H]- 436.03360 196.1
[M]+ 415.05838 193.4
[M]- 415.05948 193.4
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.