CID 135429429

Schembl6451286

Structural Information

Molecular Formula
C15H11BrN4O3
SMILES
CC(=O)NC1=CN=C(C=C1)C2=NOC(=N2)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C15H11BrN4O3/c1-8(21)18-10-3-4-12(17-7-10)14-19-15(23-20-14)11-6-9(16)2-5-13(11)22/h2-7,22H,1H3,(H,18,21)
InChIKey
GYZPHMBFGPLJCC-UHFFFAOYSA-N
Compound name
N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.00146 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.00874 174.8
[M+Na]+ 396.99068 186.4
[M-H]- 372.99418 183.6
[M+NH4]+ 392.03528 186.3
[M+K]+ 412.96462 175.2
[M+H-H2O]+ 356.99872 171.6
[M+HCOO]- 418.99966 193.0
[M+CH3COO]- 433.01531 187.3
[M+Na-2H]- 394.97613 179.6
[M]+ 374.00091 194.9
[M]- 374.00201 194.9
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