CID 68822

Plafibride

Structural Information

Molecular Formula
C16H22ClN3O4
SMILES
CC(C)(C(=O)NC(=O)NCN1CCOCC1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H22ClN3O4/c1-16(2,24-13-5-3-12(17)4-6-13)14(21)19-15(22)18-11-20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3,(H2,18,19,21,22)
InChIKey
DDDQVDIPBFGVIG-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-2-methyl-N-(morpholin-4-ylmethylcarbamoyl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

1291
Patents

355.12988 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13716 182.4
[M+Na]+ 378.11910 185.3
[M-H]- 354.12260 187.2
[M+NH4]+ 373.16370 192.2
[M+K]+ 394.09304 183.4
[M+H-H2O]+ 338.12714 174.2
[M+HCOO]- 400.12808 194.8
[M+CH3COO]- 414.14373 213.7
[M+Na-2H]- 376.10455 185.8
[M]+ 355.12933 182.7
[M]- 355.13043 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe