CID 59595

C 2095

Structural Information

Molecular Formula
C16H25ClN2O2
SMILES
CCN(CC)CC(=O)N(C)C(C)COC1=CC=CC=C1Cl
InChI
InChI=1S/C16H25ClN2O2/c1-5-19(6-2)11-16(20)18(4)13(3)12-21-15-10-8-7-9-14(15)17/h7-10,13H,5-6,11-12H2,1-4H3
InChIKey
FIYXYCMELPUDNN-UHFFFAOYSA-N
Compound name
N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16046 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16774 176.7
[M+Na]+ 335.14968 181.2
[M-H]- 311.15318 182.2
[M+NH4]+ 330.19428 193.0
[M+K]+ 351.12362 179.7
[M+H-H2O]+ 295.15772 169.6
[M+HCOO]- 357.15866 196.2
[M+CH3COO]- 371.17431 218.1
[M+Na-2H]- 333.13513 176.6
[M]+ 312.15991 183.6
[M]- 312.16101 183.6
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.