CID 135429416

Schembl6448498

Structural Information

Molecular Formula
C14H12N4O3
SMILES
COC1=CC=CC(=C1O)C2=NC(=NO2)C3=NC=C(C=C3)N
InChI
InChI=1S/C14H12N4O3/c1-20-11-4-2-3-9(12(11)19)14-17-13(18-21-14)10-6-5-8(15)7-16-10/h2-7,19H,15H2,1H3
InChIKey
CGFAHLGGBLWUJZ-UHFFFAOYSA-N
Compound name
2-[3-(5-aminopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.09094 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09822 163.4
[M+Na]+ 307.08016 173.5
[M-H]- 283.08366 169.6
[M+NH4]+ 302.12476 174.4
[M+K]+ 323.05410 169.8
[M+H-H2O]+ 267.08820 153.6
[M+HCOO]- 329.08914 184.5
[M+CH3COO]- 343.10479 175.2
[M+Na-2H]- 305.06561 167.8
[M]+ 284.09039 165.2
[M]- 284.09149 165.2
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