CID 135429428

Schembl6457450

Structural Information

Molecular Formula
C16H14N4O4
SMILES
CC(=O)NC1=CN=C(C=C1)C2=NOC(=N2)C3=C(C=CC(=C3)OC)O
InChI
InChI=1S/C16H14N4O4/c1-9(21)18-10-3-5-13(17-8-10)15-19-16(24-20-15)12-7-11(23-2)4-6-14(12)22/h3-8,22H,1-2H3,(H,18,21)
InChIKey
XVNMAUMHUNZTDX-UHFFFAOYSA-N
Compound name
N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.1015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10878 174.2
[M+Na]+ 349.09072 183.0
[M-H]- 325.09422 180.8
[M+NH4]+ 344.13532 183.4
[M+K]+ 365.06466 180.0
[M+H-H2O]+ 309.09876 163.9
[M+HCOO]- 371.09970 194.5
[M+CH3COO]- 385.11535 207.4
[M+Na-2H]- 347.07617 177.6
[M]+ 326.10095 177.5
[M]- 326.10205 177.5
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