CID 3076622

1-acetoxy-1-(3-(3-chlorophenylcarbamoyloxy)phenyl)-2-(2-(n,n-dimethylamino)ethoxy)ethane hcl

Structural Information

Molecular Formula
C21H25ClN2O5
SMILES
CC(=O)OC(COCCN(C)C)C1=CC(=CC=C1)OC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C21H25ClN2O5/c1-15(25)28-20(14-27-11-10-24(2)3)16-6-4-9-19(12-16)29-21(26)23-18-8-5-7-17(22)13-18/h4-9,12-13,20H,10-11,14H2,1-3H3,(H,23,26)
InChIKey
XDFNKNQZBHBKOK-UHFFFAOYSA-N
Compound name
[1-[3-[(3-chlorophenyl)carbamoyloxy]phenyl]-2-[2-(dimethylamino)ethoxy]ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

420.1452 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15248 199.1
[M+Na]+ 443.13442 203.0
[M-H]- 419.13792 206.5
[M+NH4]+ 438.17902 209.8
[M+K]+ 459.10836 201.0
[M+H-H2O]+ 403.14246 190.3
[M+HCOO]- 465.14340 217.7
[M+CH3COO]- 479.15905 231.4
[M+Na-2H]- 441.11987 198.5
[M]+ 420.14465 207.4
[M]- 420.14575 207.4
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

patents stripe