CID 59593

C 2096

Structural Information

Molecular Formula
C17H27ClN2O2
SMILES
CCN(CC)CC(=O)N(CC)C(C)COC1=CC=CC=C1Cl
InChI
InChI=1S/C17H27ClN2O2/c1-5-19(6-2)12-17(21)20(7-3)14(4)13-22-16-11-9-8-10-15(16)18/h8-11,14H,5-7,12-13H2,1-4H3
InChIKey
ALVUFLXAGPVBBR-UHFFFAOYSA-N
Compound name
N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.17612 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18340 181.4
[M+Na]+ 349.16534 185.5
[M-H]- 325.16884 186.7
[M+NH4]+ 344.20994 197.1
[M+K]+ 365.13928 183.8
[M+H-H2O]+ 309.17338 174.1
[M+HCOO]- 371.17432 200.6
[M+CH3COO]- 385.18997 221.0
[M+Na-2H]- 347.15079 180.7
[M]+ 326.17557 188.7
[M]- 326.17667 188.7
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.