CID 135704326

95452-62-3

Structural Information

Molecular Formula
C14H12N4O3
SMILES
C1=CC(=C(C=C1N)C2=NN=C(O2)C3=C(C=CC(=C3)N)O)O
InChI
InChI=1S/C14H12N4O3/c15-7-1-3-11(19)9(5-7)13-17-18-14(21-13)10-6-8(16)2-4-12(10)20/h1-6,19-20H,15-16H2
InChIKey
NVDYJUQFSOZOMF-UHFFFAOYSA-N
Compound name
4-amino-2-[5-(5-amino-2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09094 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.098216 163.9
[M+Na]+ 307.080158 173.5
[M-H]- 283.083664 170.1
[M+NH4]+ 302.124763 175.3
[M+K]+ 323.054098 169.0
[M+H-H2O]+ 267.088200 155.1
[M+HCOO]- 329.089141 185.2
[M+CH3COO]- 343.104791 175.3
[M+Na-2H]- 305.065606 166.9
[M]+ 284.09039142 162.3
[M]- 284.09148858 162.3
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

No patent data available for this compound.