CID 664510

847163-28-4

Structural Information

Molecular Formula
C15H11N3O
SMILES
CNC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
InChIKey
DYXYXTDIFMDJIR-UHFFFAOYSA-N
Compound name
5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

27
Patents

249.09021 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 159.0
[M+Na]+ 272.07943 171.7
[M-H]- 248.08293 164.6
[M+NH4]+ 267.12403 174.2
[M+K]+ 288.05337 165.4
[M+H-H2O]+ 232.08747 144.2
[M+HCOO]- 294.08841 179.8
[M+CH3COO]- 308.10406 170.6
[M+Na-2H]- 270.06488 165.4
[M]+ 249.08966 156.5
[M]- 249.09076 156.5
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

patents stripe