CID 58612

3-chloro-4-(2-(diethylamino)ethoxy)-5-ethoxyacetanilide hydrochloride

Structural Information

Molecular Formula
C16H25ClN2O3
SMILES
CCN(CC)CCOC1=C(C=C(C=C1Cl)NC(=O)C)OCC
InChI
InChI=1S/C16H25ClN2O3/c1-5-19(6-2)8-9-22-16-14(17)10-13(18-12(4)20)11-15(16)21-7-3/h10-11H,5-9H2,1-4H3,(H,18,20)
InChIKey
XTDPVSJEEWKMQR-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-[2-(diethylamino)ethoxy]-5-ethoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15536 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16264 178.6
[M+Na]+ 351.14458 184.9
[M-H]- 327.14808 183.3
[M+NH4]+ 346.18918 194.1
[M+K]+ 367.11852 182.2
[M+H-H2O]+ 311.15262 171.8
[M+HCOO]- 373.15356 198.7
[M+CH3COO]- 387.16921 218.3
[M+Na-2H]- 349.13003 179.1
[M]+ 328.15481 187.0
[M]- 328.15591 187.0
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.