CID 2110937

4-(2-chloroacetamido)-n,n-diethylbenzamide

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C13H17ClN2O2/c1-3-16(4-2)13(18)10-5-7-11(8-6-10)15-12(17)9-14/h5-8H,3-4,9H2,1-2H3,(H,15,17)
InChIKey
ZNPSXTYXYLPVJR-UHFFFAOYSA-N
Compound name
4-[(2-chloroacetyl)amino]-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 161.9
[M+Na]+ 291.08709 167.9
[M-H]- 267.09059 166.6
[M+NH4]+ 286.13169 179.3
[M+K]+ 307.06103 165.1
[M+H-H2O]+ 251.09513 155.6
[M+HCOO]- 313.09607 182.1
[M+CH3COO]- 327.11172 204.2
[M+Na-2H]- 289.07254 164.1
[M]+ 268.09732 165.6
[M]- 268.09842 165.6
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.