CID 82414

3-hydroxy-n-(3-morpholinopropyl)-2-naphthamide

Structural Information

Molecular Formula
C18H22N2O3
SMILES
C1COCCN1CCCNC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C18H22N2O3/c21-17-13-15-5-2-1-4-14(15)12-16(17)18(22)19-6-3-7-20-8-10-23-11-9-20/h1-2,4-5,12-13,21H,3,6-11H2,(H,19,22)
InChIKey
OTEFEXJNJQIESQ-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

736
Patents

314.16306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.170336 174.0
[M+Na]+ 337.152278 177.6
[M-H]- 313.155784 178.1
[M+NH4]+ 332.196883 185.2
[M+K]+ 353.126218 174.3
[M+H-H2O]+ 297.160320 164.6
[M+HCOO]- 359.161261 189.5
[M+CH3COO]- 373.176911 206.0
[M+Na-2H]- 335.137726 178.3
[M]+ 314.16251142 171.1
[M]- 314.16360858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe