CID 54393

79565-71-2

Structural Information

Molecular Formula
C22H28ClN3O2
SMILES
CCN(CC)CCNC(=O)CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H28ClN3O2/c1-3-25(4-2)16-14-24-21(27)13-15-26(20-12-8-11-19(23)17-20)22(28)18-9-6-5-7-10-18/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,27)
InChIKey
ORKIZHZYGTVKQK-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.187 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19428 199.6
[M+Na]+ 424.17622 210.0
[M+NH4]+ 419.22082 206.0
[M+K]+ 440.15016 202.3
[M-H]- 400.17972 204.8
[M+Na-2H]- 422.16167 206.6
[M]+ 401.18645 202.6
[M]- 401.18755 202.6
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.