CID 3031173

41859-58-9

Structural Information

Molecular Formula
C21H24ClNO4
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H24ClNO4/c1-4-26-20(25)21(2,3)27-18-11-5-15(6-12-18)13-14-23-19(24)16-7-9-17(22)10-8-16/h5-12H,4,13-14H2,1-3H3,(H,23,24)
InChIKey
KSGYUJBREQWZHK-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

389.13937 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14665 192.4
[M+Na]+ 412.12859 197.9
[M-H]- 388.13209 198.6
[M+NH4]+ 407.17319 204.3
[M+K]+ 428.10253 193.5
[M+H-H2O]+ 372.13663 184.7
[M+HCOO]- 434.13757 208.6
[M+CH3COO]- 448.15322 221.1
[M+Na-2H]- 410.11404 194.0
[M]+ 389.13882 198.9
[M]- 389.13992 198.9
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

patents stripe