CID 135704326

1,3,4-oxadiazole, 2,5-bis(5-amino-2-hydroxyphenyl)-

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]+ 285.09822 163.9
[M+Na]+ 307.08016 173.5
[M-H]- 283.08366 170.1
[M+NH4]+ 302.12476 175.3
[M+K]+ 323.05410 169.0
[M+H-H2O]+ 267.08820 155.1
[M+HCOO]- 329.08914 185.2
[M+CH3COO]- 343.10479 175.3
[M+Na-2H]- 305.06561 166.9
[M]+ 284.09039 162.3
[M]- 284.09149 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.