CID 121680

Einecs 250-152-9

Structural Information

Molecular Formula
C18H22N2O3
SMILES
C1COCCN1CCCNC(=O)C2=C(C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C18H22N2O3/c21-17-15-5-2-1-4-14(15)6-7-16(17)18(22)19-8-3-9-20-10-12-23-13-11-20/h1-2,4-7,21H,3,8-13H2,(H,19,22)
InChIKey
JJEAHXPPYZKVHZ-UHFFFAOYSA-N
Compound name
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

314.16306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 174.0
[M+Na]+ 337.15228 177.6
[M-H]- 313.15578 178.1
[M+NH4]+ 332.19688 185.2
[M+K]+ 353.12622 174.3
[M+H-H2O]+ 297.16032 164.6
[M+HCOO]- 359.16126 189.5
[M+CH3COO]- 373.17691 206.0
[M+Na-2H]- 335.13773 178.3
[M]+ 314.16251 171.1
[M]- 314.16361 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

No literature data available for this compound.

Patent stripe

patents stripe