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-methylpyridin-2-yl)-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]+ 269.10332 160.9
[M+Na]+ 291.08526 171.2
[M-H]- 267.08876 167.1
[M+NH4]+ 286.12986 172.7
[M+K]+ 307.05920 166.8
[M+H-H2O]+ 251.09330 151.3
[M+HCOO]- 313.09424 181.8
[M+CH3COO]- 327.10989 172.8
[M+Na-2H]- 289.07071 165.2
[M]+ 268.09549 161.3
[M]- 268.09659 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