CID 3045045

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

Structural Information

Molecular Formula
C19H21Cl2NO5
SMILES
CCC(CO)(CO)NC(=O)C(OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H21Cl2NO5/c1-2-19(11-23,12-24)22-17(25)18(26-15-7-3-13(20)4-8-15)27-16-9-5-14(21)6-10-16/h3-10,18,23-24H,2,11-12H2,1H3,(H,22,25)
InChIKey
FNYHOWLAJNGHIY-UHFFFAOYSA-N
Compound name
2,2-bis(4-chlorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.07968 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.08696 193.6
[M+Na]+ 436.06890 204.8
[M+NH4]+ 431.11350 198.9
[M+K]+ 452.04284 199.1
[M-H]- 412.07240 194.9
[M+Na-2H]- 434.05435 198.9
[M]+ 413.07913 196.0
[M]- 413.08023 196.0
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.