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 186.5
[M+Na]+ 438.04815 191.6
[M-H]- 414.05165 188.7
[M+NH4]+ 433.09275 195.8
[M+K]+ 454.02209 186.7
[M+H-H2O]+ 398.05619 180.9
[M+HCOO]- 460.05713 194.8
[M+CH3COO]- 474.07278 215.4
[M+Na-2H]- 436.03360 188.6
[M]+ 415.05838 191.6
[M]- 415.05948 191.6
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.