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-methyl-2-pyridinyl)-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]+ 314.113536 171.3
[M+Na]+ 336.095478 182.1
[M-H]- 312.098984 178.1
[M+NH4]+ 331.140083 181.9
[M+K]+ 352.069418 179.1
[M+H-H2O]+ 296.103520 161.4
[M+HCOO]- 358.104461 191.4
[M+CH3COO]- 372.120111 203.8
[M+Na-2H]- 334.080926 174.3
[M]+ 313.10571142 177.1
[M]- 313.10680858 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