CID 53892

77966-44-0

Structural Information

Molecular Formula
C16H26ClN3O
SMILES
CCN(CC)CCN(C)CC(=O)NC1=C(C=CC(=C1)Cl)C
InChI
InChI=1S/C16H26ClN3O/c1-5-20(6-2)10-9-19(4)12-16(21)18-15-11-14(17)8-7-13(15)3/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,18,21)
InChIKey
VNVNWFKPMKVHGK-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-2-[2-(diethylamino)ethyl-methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17645 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.183726 178.7
[M+Na]+ 334.165668 183.5
[M-H]- 310.169174 184.3
[M+NH4]+ 329.210273 195.0
[M+K]+ 350.139608 181.0
[M+H-H2O]+ 294.173710 171.3
[M+HCOO]- 356.174651 199.8
[M+CH3COO]- 370.190301 221.4
[M+Na-2H]- 332.151116 179.1
[M]+ 311.17590142 184.3
[M]- 311.17699858 184.3
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.