CID 59379

C 5290

Structural Information

Molecular Formula
C23H32ClN3O2
SMILES
CCN(CC)CCN(CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C23H32ClN3O2/c1-4-26(5-2)14-15-27(16-17-29-20-11-7-6-8-12-20)18-22(28)25-23-19(3)10-9-13-21(23)24/h6-13H,4-5,14-18H2,1-3H3,(H,25,28)
InChIKey
YUPNDKNVBMDTLB-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-(2-phenoxyethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.2183 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22558 206.3
[M+Na]+ 440.20752 209.1
[M-H]- 416.21102 214.2
[M+NH4]+ 435.25212 217.6
[M+K]+ 456.18146 205.3
[M+H-H2O]+ 400.21556 196.5
[M+HCOO]- 462.21650 226.7
[M+CH3COO]- 476.23215 239.6
[M+Na-2H]- 438.19297 206.0
[M]+ 417.21775 213.5
[M]- 417.21885 213.5
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.