CID 135429430

Schembl6453931

Structural Information

Molecular Formula
C16H14N4O3
SMILES
CC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=NC=C(C=C3)NC(=O)C
InChI
InChI=1S/C16H14N4O3/c1-9-3-6-14(22)12(7-9)16-19-15(20-23-16)13-5-4-11(8-17-13)18-10(2)21/h3-8,22H,1-2H3,(H,18,21)
InChIKey
YGBJEASOVWTXHF-UHFFFAOYSA-N
Compound name
N-[6-[5-(2-hydroxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.1066 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11388 171.9
[M+Na]+ 333.09582 181.0
[M-H]- 309.09932 178.4
[M+NH4]+ 328.14042 181.9
[M+K]+ 349.06976 177.2
[M+H-H2O]+ 293.10386 161.8
[M+HCOO]- 355.10480 192.0
[M+CH3COO]- 369.12045 182.9
[M+Na-2H]- 331.08127 175.1
[M]+ 310.10605 173.8
[M]- 310.10715 173.8
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