CID 120366

4-morpholinebutyranilide, 2'-chloro-5'-ethyl-

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCC1=CC(=C(C=C1)Cl)NC(=O)CCCN2CCOCC2
InChI
InChI=1S/C16H23ClN2O2/c1-2-13-5-6-14(17)15(12-13)18-16(20)4-3-7-19-8-10-21-11-9-19/h5-6,12H,2-4,7-11H2,1H3,(H,18,20)
InChIKey
HPYCCASBJHZFNR-UHFFFAOYSA-N
Compound name
N-(2-chloro-5-ethylphenyl)-4-morpholin-4-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 175.3
[M+Na]+ 333.13402 179.7
[M-H]- 309.13752 179.8
[M+NH4]+ 328.17862 187.6
[M+K]+ 349.10796 175.9
[M+H-H2O]+ 293.14206 166.8
[M+HCOO]- 355.14300 188.4
[M+CH3COO]- 369.15865 206.1
[M+Na-2H]- 331.11947 177.2
[M]+ 310.14425 175.5
[M]- 310.14535 175.5
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.