CID 4339123

N-(2,5-dichlorophenyl)-2-(propylamino)acetamide

Structural Information

Molecular Formula
C11H14Cl2N2O
SMILES
CCCNCC(=O)NC1=C(C=CC(=C1)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2O/c1-2-5-14-7-11(16)15-10-6-8(12)3-4-9(10)13/h3-4,6,14H,2,5,7H2,1H3,(H,15,16)
InChIKey
JBSZZCTUOOODPI-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-2-(propylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

260.0483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05558 157.0
[M+Na]+ 283.03752 164.9
[M-H]- 259.04102 159.9
[M+NH4]+ 278.08212 174.8
[M+K]+ 299.01146 159.2
[M+H-H2O]+ 243.04556 152.3
[M+HCOO]- 305.04650 172.7
[M+CH3COO]- 319.06215 199.0
[M+Na-2H]- 281.02297 160.5
[M]+ 260.04775 160.0
[M]- 260.04885 160.0
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

No patent data available for this compound.