CID 215042

34789-83-8

Structural Information

Molecular Formula
C22H25Cl2NO5
SMILES
CC(C)(C(=O)NCCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C22H25Cl2NO5/c1-21(2,29-17-9-5-15(23)6-10-17)19(26)25-13-14-28-20(27)22(3,4)30-18-11-7-16(24)8-12-18/h5-12H,13-14H2,1-4H3,(H,25,26)
InChIKey
AWMUOENWEADMKR-UHFFFAOYSA-N
Compound name
2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.111 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.11828 202.9
[M+Na]+ 476.10022 208.6
[M-H]- 452.10372 208.9
[M+NH4]+ 471.14482 212.9
[M+K]+ 492.07416 204.3
[M+H-H2O]+ 436.10826 196.2
[M+HCOO]- 498.10920 212.6
[M+CH3COO]- 512.12485 230.3
[M+Na-2H]- 474.08567 205.0
[M]+ 453.11045 212.1
[M]- 453.11155 212.1
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.