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
2
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]+ 315.170336 175.2
[M+Na]+ 337.152278 179.7
[M-H]- 313.155784 179.2
[M+NH4]+ 332.196883 186.4
[M+K]+ 353.126218 176.1
[M+H-H2O]+ 297.160320 166.1
[M+HCOO]- 359.161261 190.0
[M+CH3COO]- 373.176911 207.4
[M+Na-2H]- 335.137726 177.7
[M]+ 314.16251142 171.9
[M]- 314.16360858 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.