CID 60130

106321-35-1

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CCN(CC)C(=O)CN(C1=CC=CC=C1)C(=O)CCl
InChI
InChI=1S/C14H19ClN2O2/c1-3-16(4-2)14(19)11-17(13(18)10-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
JYLLMBJNBRRGGA-UHFFFAOYSA-N
Compound name
2-(N-(2-chloroacetyl)anilino)-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 166.8
[M+Na]+ 305.10272 171.6
[M-H]- 281.10622 172.4
[M+NH4]+ 300.14732 184.0
[M+K]+ 321.07666 169.9
[M+H-H2O]+ 265.11076 159.9
[M+HCOO]- 327.11170 187.2
[M+CH3COO]- 341.12735 209.5
[M+Na-2H]- 303.08817 168.4
[M]+ 282.11295 171.8
[M]- 282.11405 171.8
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.