CID 14433

1170-51-0

Structural Information

Molecular Formula
C20H34ClN3O2
SMILES
CCN(CC)CCN(CCN(CC)CC)C(=O)COC1=CC=C(C=C1)Cl
InChI
InChI=1S/C20H34ClN3O2/c1-5-22(6-2)13-15-24(16-14-23(7-3)8-4)20(25)17-26-19-11-9-18(21)10-12-19/h9-12H,5-8,13-17H2,1-4H3
InChIKey
TUKRGHXMYUQLKZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.23395 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.24123 200.2
[M+Na]+ 406.22317 202.4
[M-H]- 382.22667 206.1
[M+NH4]+ 401.26777 213.8
[M+K]+ 422.19711 200.9
[M+H-H2O]+ 366.23121 191.4
[M+HCOO]- 428.23215 220.7
[M+CH3COO]- 442.24780 237.3
[M+Na-2H]- 404.20862 198.6
[M]+ 383.23340 209.6
[M]- 383.23450 209.6
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.