CID 3042762

Brn 1132476

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=NOC(=N3)N)O
InChI
InChI=1S/C15H13N3O2/c16-15-17-14(18-20-15)13(19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13,19H,(H2,16,17,18)
InChIKey
WCQUMEGSDXPPMD-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(4-phenylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 159.4
[M+Na]+ 290.08999 167.1
[M-H]- 266.09349 166.1
[M+NH4]+ 285.13459 171.9
[M+K]+ 306.06393 163.4
[M+H-H2O]+ 250.09803 150.1
[M+HCOO]- 312.09897 180.4
[M+CH3COO]- 326.11462 170.9
[M+Na-2H]- 288.07544 163.8
[M]+ 267.10022 158.2
[M]- 267.10132 158.2
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.