CID 39652

50341-95-2

Structural Information

Molecular Formula
C17H19ClN2O2
SMILES
C1COCCN1CCNC(=O)C2=CC=CC3=C2C=CC(=C3)Cl
InChI
InChI=1S/C17H19ClN2O2/c18-14-4-5-15-13(12-14)2-1-3-16(15)17(21)19-6-7-20-8-10-22-11-9-20/h1-5,12H,6-11H2,(H,19,21)
InChIKey
DDWOQQLEWNWEFG-UHFFFAOYSA-N
Compound name
6-chloro-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1135 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12078 173.6
[M+Na]+ 341.10272 179.0
[M-H]- 317.10622 179.1
[M+NH4]+ 336.14732 186.4
[M+K]+ 357.07666 174.5
[M+H-H2O]+ 301.11076 164.9
[M+HCOO]- 363.11170 186.2
[M+CH3COO]- 377.12735 183.2
[M+Na-2H]- 339.08817 178.2
[M]+ 318.11295 173.0
[M]- 318.11405 173.0
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.