CID 98721

4-(n-(4-chlorophenyl)carbamoyl)-2,6-dimethylmorpholine

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC1CN(CC(O1)C)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O2/c1-9-7-16(8-10(2)18-9)13(17)15-12-5-3-11(14)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKey
GCBXVGDTMAULPU-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.105146 162.0
[M+Na]+ 291.087088 168.8
[M-H]- 267.090594 167.6
[M+NH4]+ 286.131693 176.5
[M+K]+ 307.061028 165.7
[M+H-H2O]+ 251.095130 154.6
[M+HCOO]- 313.096071 176.2
[M+CH3COO]- 327.111721 197.7
[M+Na-2H]- 289.072536 164.8
[M]+ 268.09732142 161.5
[M]- 268.09841858 161.5
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

No patent data available for this compound.