CID 56872

Np 118

Structural Information

Molecular Formula
C22H29ClN2O2
SMILES
CCN(CC)CCCN(CC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C22H29ClN2O2/c1-3-24(4-2)15-8-16-25(17-19-9-6-5-7-10-19)22(26)18-27-21-13-11-20(23)12-14-21/h5-7,9-14H,3-4,8,15-18H2,1-2H3
InChIKey
QLBOZUMDEADGGO-UHFFFAOYSA-N
Compound name
N-benzyl-2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19174 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19902 196.4
[M+Na]+ 411.18096 208.5
[M+NH4]+ 406.22556 203.8
[M+K]+ 427.15490 199.6
[M-H]- 387.18446 201.9
[M+Na-2H]- 409.16641 204.3
[M]+ 388.19119 200.0
[M]- 388.19229 200.0
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.