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
2
Annotation Hits

0
References

669
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

No literature data available for this compound.

Patent stripe

patents stripe