CID 135429446

Schembl6452503

Structural Information

Molecular Formula
C16H15N3O4
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C(=C(C=C3)OC)OC)O
InChI
InChI=1S/C16H15N3O4/c1-9-5-4-8-17-12(9)15-18-16(23-19-15)10-6-7-11(21-2)14(22-3)13(10)20/h4-8,20H,1-3H3
InChIKey
DURAWOMCNYORNT-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-6-[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

313.10626 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 171.3
[M+Na]+ 336.09548 182.1
[M-H]- 312.09898 178.1
[M+NH4]+ 331.14008 181.9
[M+K]+ 352.06942 179.1
[M+H-H2O]+ 296.10352 161.4
[M+HCOO]- 358.10446 191.4
[M+CH3COO]- 372.12011 203.8
[M+Na-2H]- 334.08093 174.3
[M]+ 313.10571 177.1
[M]- 313.10681 177.1
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