CID 135429341

Schembl6451316

Structural Information

Molecular Formula
C17H10N4O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=NC(=NO3)C4=C(C=CC=N4)[N+](=O)[O-])O
InChI
InChI=1S/C17H10N4O4/c22-13-8-7-10-4-1-2-5-11(10)14(13)17-19-16(20-25-17)15-12(21(23)24)6-3-9-18-15/h1-9,22H
InChIKey
LQTFEJBRIAHPMM-UHFFFAOYSA-N
Compound name
1-[3-(3-nitropyridin-2-yl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.0702 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07748 172.7
[M+Na]+ 357.05942 181.8
[M-H]- 333.06292 180.4
[M+NH4]+ 352.10402 181.6
[M+K]+ 373.03336 173.1
[M+H-H2O]+ 317.06746 166.4
[M+HCOO]- 379.06840 193.7
[M+CH3COO]- 393.08405 200.9
[M+Na-2H]- 355.04487 182.0
[M]+ 334.06965 173.9
[M]- 334.07075 173.9
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