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 197.8
[M+Na]+ 411.18096 201.1
[M-H]- 387.18446 205.6
[M+NH4]+ 406.22556 210.3
[M+K]+ 427.15490 197.2
[M+H-H2O]+ 371.18900 188.3
[M+HCOO]- 433.18994 217.5
[M+CH3COO]- 447.20559 230.5
[M+Na-2H]- 409.16641 198.3
[M]+ 388.19119 204.9
[M]- 388.19229 204.9
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.