CID 120778

738-52-3

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCC1=CC(=C(C=C1)Cl)NC(=O)CC(C)N2CCOCC2
InChI
InChI=1S/C16H23ClN2O2/c1-3-13-4-5-14(17)15(11-13)18-16(20)10-12(2)19-6-8-21-9-7-19/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,20)
InChIKey
WLYRSDXTWVWFEJ-UHFFFAOYSA-N
Compound name
N-(2-chloro-5-ethylphenyl)-3-morpholin-4-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 175.2
[M+Na]+ 333.13402 179.4
[M-H]- 309.13752 179.8
[M+NH4]+ 328.17862 187.5
[M+K]+ 349.10796 176.1
[M+H-H2O]+ 293.14206 167.0
[M+HCOO]- 355.14300 187.3
[M+CH3COO]- 369.15865 207.0
[M+Na-2H]- 331.11947 176.0
[M]+ 310.14425 174.9
[M]- 310.14535 174.9
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.