CID 3054152

Ita 372

Structural Information

Molecular Formula
C14H18ClN3O4
SMILES
C1COCCN1CNC(=O)NC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18ClN3O4/c15-11-1-3-12(4-2-11)22-9-13(19)17-14(20)16-10-18-5-7-21-8-6-18/h1-4H,5-10H2,(H2,16,17,19,20)
InChIKey
NNXDKWUYRKHIOD-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.09857 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10585 173.8
[M+Na]+ 350.08779 177.2
[M-H]- 326.09129 178.5
[M+NH4]+ 345.13239 184.6
[M+K]+ 366.06173 175.1
[M+H-H2O]+ 310.09583 165.2
[M+HCOO]- 372.09677 188.4
[M+CH3COO]- 386.11242 207.3
[M+Na-2H]- 348.07324 177.2
[M]+ 327.09802 173.8
[M]- 327.09912 173.8
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