CID 54404

79565-85-8

Structural Information

Molecular Formula
C23H29ClN2O3
SMILES
CCN(CC)CCOC(=O)C(C)(C)N(C1=CC=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H29ClN2O3/c1-5-25(6-2)16-17-29-22(28)23(3,4)26(20-14-12-19(24)13-15-20)21(27)18-10-8-7-9-11-18/h7-15H,5-6,16-17H2,1-4H3
InChIKey
UBAKDSCTIVHXQI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(N-benzoyl-4-chloroanilino)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.18668 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.193956 202.4
[M+Na]+ 439.175898 205.7
[M-H]- 415.179404 210.7
[M+NH4]+ 434.220503 213.8
[M+K]+ 455.149838 203.0
[M+H-H2O]+ 399.183940 193.6
[M+HCOO]- 461.184881 219.8
[M+CH3COO]- 475.200531 235.2
[M+Na-2H]- 437.161346 202.5
[M]+ 416.18613142 209.7
[M]- 416.18722858 209.7
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.