CID 15956957

5-(2,5-dimethoxyphenyl)-3-(3-nitro-2-pyridyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C15H12N4O5
SMILES
COC1=CC(=C(C=C1)OC)C2=NC(=NO2)C3=C(C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O5/c1-22-9-5-6-12(23-2)10(8-9)15-17-14(18-24-15)13-11(19(20)21)4-3-7-16-13/h3-8H,1-2H3
InChIKey
YTBBMXSZLMOKHL-UHFFFAOYSA-N
Compound name
5-(2,5-dimethoxyphenyl)-3-(3-nitropyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.08078 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08806 172.0
[M+Na]+ 351.07000 180.2
[M-H]- 327.07350 179.8
[M+NH4]+ 346.11460 181.0
[M+K]+ 367.04394 174.0
[M+H-H2O]+ 311.07804 165.7
[M+HCOO]- 373.07898 194.4
[M+CH3COO]- 387.09463 201.7
[M+Na-2H]- 349.05545 179.2
[M]+ 328.08023 175.4
[M]- 328.08133 175.4
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