CID 473253

Texaline

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)C3=CN=C(O3)C4=CN=CC=C4
InChI
InChI=1S/C15H10N2O3/c1-2-11(7-16-5-1)15-17-8-14(20-15)10-3-4-12-13(6-10)19-9-18-12/h1-8H,9H2
InChIKey
SDHIXARCLVIOJM-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

266.06915 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07643 154.8
[M+Na]+ 289.05837 164.7
[M-H]- 265.06187 165.5
[M+NH4]+ 284.10297 168.8
[M+K]+ 305.03231 164.3
[M+H-H2O]+ 249.06641 147.5
[M+HCOO]- 311.06735 175.3
[M+CH3COO]- 325.08300 168.4
[M+Na-2H]- 287.04382 160.5
[M]+ 266.06860 158.5
[M]- 266.06970 158.5
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