CID 55167

83850-79-7

Structural Information

Molecular Formula
C20H26ClN3O
SMILES
CCN(CC)CCNC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H26ClN3O/c1-3-24(4-2)15-14-22-20(25)19(16-8-6-5-7-9-16)23-18-12-10-17(21)11-13-18/h5-13,19,23H,3-4,14-15H2,1-2H3,(H,22,25)
InChIKey
IYMSPWFBAIUSAA-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)-N-[2-(diethylamino)ethyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.17645 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18373 189.3
[M+Na]+ 382.16567 192.3
[M-H]- 358.16917 196.0
[M+NH4]+ 377.21027 202.1
[M+K]+ 398.13961 187.5
[M+H-H2O]+ 342.17371 180.5
[M+HCOO]- 404.17465 209.1
[M+CH3COO]- 418.19030 225.2
[M+Na-2H]- 380.15112 190.8
[M]+ 359.17590 191.8
[M]- 359.17700 191.8
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.