CID 3041582

Brn 2301179

Structural Information

Molecular Formula
C21H26ClNO2
SMILES
CCN(CC)C(=O)C(C)(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H26ClNO2/c1-5-23(6-2)20(24)21(3,4)25-19-13-9-17(10-14-19)15-16-7-11-18(22)12-8-16/h7-14H,5-6,15H2,1-4H3
InChIKey
HAOQHDCDWKXSHN-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]-N,N-diethyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1652 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17248 187.7
[M+Na]+ 382.15442 193.6
[M-H]- 358.15792 195.2
[M+NH4]+ 377.19902 201.7
[M+K]+ 398.12836 189.2
[M+H-H2O]+ 342.16246 179.9
[M+HCOO]- 404.16340 204.8
[M+CH3COO]- 418.17905 220.9
[M+Na-2H]- 380.13987 189.3
[M]+ 359.16465 193.9
[M]- 359.16575 193.9
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.