CID 135429442

Schembl6450555

Structural Information

Molecular Formula
C14H12N4O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=C(C=C3)N)O
InChI
InChI=1S/C14H12N4O2/c1-8-3-2-6-16-12(8)13-17-14(20-18-13)10-5-4-9(15)7-11(10)19/h2-7,19H,15H2,1H3
InChIKey
WSNHJJHXHXSNIB-UHFFFAOYSA-N
Compound name
5-amino-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.09604 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.103316 160.9
[M+Na]+ 291.085258 171.2
[M-H]- 267.088764 167.1
[M+NH4]+ 286.129863 172.7
[M+K]+ 307.059198 166.8
[M+H-H2O]+ 251.093300 151.3
[M+HCOO]- 313.094241 181.8
[M+CH3COO]- 327.109891 172.8
[M+Na-2H]- 289.070706 165.2
[M]+ 268.09549142 161.3
[M]- 268.09658858 161.3
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