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 189.9
[M+Na]+ 436.06890 195.2
[M-H]- 412.07240 193.2
[M+NH4]+ 431.11350 200.0
[M+K]+ 452.04284 190.0
[M+H-H2O]+ 396.07694 183.9
[M+HCOO]- 458.07788 199.0
[M+CH3COO]- 472.09353 218.2
[M+Na-2H]- 434.05435 191.5
[M]+ 413.07913 195.7
[M]- 413.08023 195.7
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.