CID 92678

57133-25-2

Structural Information

Molecular Formula
C18H22N2O3
SMILES
C1COCCN1CCCC2=C(C3=CC=CC=C3C=C2O)C(=O)N
InChI
InChI=1S/C18H22N2O3/c19-18(22)17-14-5-2-1-4-13(14)12-16(21)15(17)6-3-7-20-8-10-23-11-9-20/h1-2,4-5,12,21H,3,6-11H2,(H2,19,22)
InChIKey
QOZVTDMGRXVAPM-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 175.2
[M+Na]+ 337.15228 179.7
[M-H]- 313.15578 179.2
[M+NH4]+ 332.19688 186.4
[M+K]+ 353.12622 176.1
[M+H-H2O]+ 297.16032 166.1
[M+HCOO]- 359.16126 190.0
[M+CH3COO]- 373.17691 207.4
[M+Na-2H]- 335.13773 177.7
[M]+ 314.16251 171.9
[M]- 314.16361 171.9
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.