CID 663485

5-{[2-(morpholin-4-yl)ethyl]amino}-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C20H20N4O2
SMILES
C1COCCN1CCNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)C#N
InChI
InChI=1S/C20H20N4O2/c21-14-18-20(22-8-9-24-10-12-25-13-11-24)26-19(23-18)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,22H,8-13H2
InChIKey
KWBKEIGMVBUGGD-UHFFFAOYSA-N
Compound name
5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

348.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 190.1
[M+Na]+ 371.14785 203.8
[M+NH4]+ 366.19245 194.1
[M+K]+ 387.12179 194.1
[M-H]- 347.15135 190.3
[M+Na-2H]- 369.13330 194.0
[M]+ 348.15808 191.4
[M]- 348.15918 191.4
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

No patent data available for this compound.