CID 3057619

Glycinamide, n-(2-benzoyl-4-chlorophenyl)-n-(2-(diethylamino)ethyl)glycyl-, dihydrochloride

Structural Information

Molecular Formula
C23H29ClN4O3
SMILES
CCN(CC)CCN(CC(=O)NC(=O)CN)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H29ClN4O3/c1-3-27(4-2)12-13-28(16-22(30)26-21(29)15-25)20-11-10-18(24)14-19(20)23(31)17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15-16,25H2,1-2H3,(H,26,29,30)
InChIKey
KTABJXKFYFOOIW-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[2-benzoyl-4-chloro-N-[2-(diethylamino)ethyl]anilino]acetyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.1928 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.20008 211.3
[M+Na]+ 467.18202 213.1
[M-H]- 443.18552 218.9
[M+NH4]+ 462.22662 220.5
[M+K]+ 483.15596 210.1
[M+H-H2O]+ 427.19006 201.7
[M+HCOO]- 489.19100 230.8
[M+CH3COO]- 503.20665 246.1
[M+Na-2H]- 465.16747 208.4
[M]+ 444.19225 215.6
[M]- 444.19335 215.6
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.