CID 39478

Ml 1037

Structural Information

Molecular Formula
C23H29ClN2O4
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)OC2=CC=CC=C2Cl
InChI
InChI=1S/C23H29ClN2O4/c1-5-26(6-2)15-16-29-21(27)17-11-13-18(14-12-17)25-22(28)23(3,4)30-20-10-8-7-9-19(20)24/h7-14H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKey
NVOZYHBMINYHQA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[[2-(2-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.18158 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18886 204.7
[M+Na]+ 455.17080 215.1
[M+NH4]+ 450.21540 209.9
[M+K]+ 471.14474 208.9
[M-H]- 431.17430 207.8
[M+Na-2H]- 453.15625 210.6
[M]+ 432.18103 207.2
[M]- 432.18213 207.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.