CID 15956975

Schembl7050345

Structural Information

Molecular Formula
C14H10N4O3
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O3/c1-9-4-3-7-15-12(9)13-16-14(21-17-13)10-5-2-6-11(8-10)18(19)20/h2-8H,1H3
InChIKey
PRLVAQKGBLYQSQ-UHFFFAOYSA-N
Compound name
3-(3-methylpyridin-2-yl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.0753 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08258 161.3
[M+Na]+ 305.06452 169.8
[M-H]- 281.06802 168.9
[M+NH4]+ 300.10912 172.2
[M+K]+ 321.03846 162.5
[M+H-H2O]+ 265.07256 155.5
[M+HCOO]- 327.07350 183.9
[M+CH3COO]- 341.08915 193.3
[M+Na-2H]- 303.04997 169.3
[M]+ 282.07475 161.5
[M]- 282.07585 161.5
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