CID 380228

Nsc665704

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=NC=C4)OC1
InChI
InChI=1S/C17H14N2O2/c1-2-13-10-14(3-4-15(13)20-9-1)17-19-11-16(21-17)12-5-7-18-8-6-12/h3-8,10-11H,1-2,9H2
InChIKey
RCUOEARNYAXURR-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-2H-chromen-6-yl)-5-pyridin-4-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 161.9
[M+Na]+ 301.09475 170.0
[M-H]- 277.09825 171.0
[M+NH4]+ 296.13935 174.6
[M+K]+ 317.06869 167.3
[M+H-H2O]+ 261.10279 152.3
[M+HCOO]- 323.10373 180.1
[M+CH3COO]- 337.11938 173.7
[M+Na-2H]- 299.08020 168.1
[M]+ 278.10498 161.8
[M]- 278.10608 161.8
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.