CID 53890

C 5401

Structural Information

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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18373 178.7
[M+Na]+ 334.16567 183.5
[M-H]- 310.16917 184.3
[M+NH4]+ 329.21027 195.0
[M+K]+ 350.13961 181.0
[M+H-H2O]+ 294.17371 171.3
[M+HCOO]- 356.17465 199.8
[M+CH3COO]- 370.19030 221.4
[M+Na-2H]- 332.15112 179.1
[M]+ 311.17590 184.3
[M]- 311.17700 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.