CID 135429357

5-methoxy-2-[3-(3-nitro-pyridin-2-yl)-[1,2,4]oxadiazol-5-yl]-phenol

Structural Information

Molecular Formula
C14H10N4O5
SMILES
COC1=CC(=C(C=C1)C2=NC(=NO2)C3=C(C=CC=N3)[N+](=O)[O-])O
InChI
InChI=1S/C14H10N4O5/c1-22-8-4-5-9(11(19)7-8)14-16-13(17-23-14)12-10(18(20)21)3-2-6-15-12/h2-7,19H,1H3
InChIKey
AIEFXMBETSICDR-UHFFFAOYSA-N
Compound name
5-methoxy-2-[3-(3-nitropyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.06512 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07240 166.9
[M+Na]+ 337.05434 175.2
[M-H]- 313.05784 173.7
[M+NH4]+ 332.09894 175.8
[M+K]+ 353.02828 168.4
[M+H-H2O]+ 297.06238 161.2
[M+HCOO]- 359.06332 188.3
[M+CH3COO]- 373.07897 196.2
[M+Na-2H]- 335.03979 174.3
[M]+ 314.06457 168.4
[M]- 314.06567 168.4
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