CID 3054221

Ita 375

Structural Information

Molecular Formula
C23H26ClN3O5
SMILES
CC(C)(C(=O)NC(=O)NCN1CCOCC1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H26ClN3O5/c1-23(2,21(29)26-22(30)25-15-27-11-13-31-14-12-27)32-19-9-5-17(6-10-19)20(28)16-3-7-18(24)8-4-16/h3-10H,11-15H2,1-2H3,(H2,25,26,29,30)
InChIKey
GDGBMYKIIFNTOO-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(morpholin-4-ylmethylcarbamoyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

459.1561 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16338 207.7
[M+Na]+ 482.14532 209.3
[M-H]- 458.14882 215.2
[M+NH4]+ 477.18992 212.5
[M+K]+ 498.11926 206.7
[M+H-H2O]+ 442.15336 197.6
[M+HCOO]- 504.15430 218.3
[M+CH3COO]- 518.16995 234.3
[M+Na-2H]- 480.13077 208.7
[M]+ 459.15555 208.5
[M]- 459.15665 208.5
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