CID 135429399

Schembl6449815

Structural Information

Molecular Formula
C21H17N3O4
SMILES
COC1=CC(=C(C(=C1)OC)C2=NC(=NO2)C3=C(C=CC=N3)C4=CC=CC=C4)O
InChI
InChI=1S/C21H17N3O4/c1-26-14-11-16(25)18(17(12-14)27-2)21-23-20(24-28-21)19-15(9-6-10-22-19)13-7-4-3-5-8-13/h3-12,25H,1-2H3
InChIKey
FVTPREMLCOYVDC-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-2-[3-(3-phenylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.12192 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12920 188.4
[M+Na]+ 398.11114 198.0
[M-H]- 374.11464 197.9
[M+NH4]+ 393.15574 195.6
[M+K]+ 414.08508 193.5
[M+H-H2O]+ 358.11918 176.7
[M+HCOO]- 420.12012 207.7
[M+CH3COO]- 434.13577 198.8
[M+Na-2H]- 396.09659 190.8
[M]+ 375.12137 192.9
[M]- 375.12247 192.9
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