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]+ 268.108046 159.4
[M+Na]+ 290.089988 167.1
[M-H]- 266.093494 166.1
[M+NH4]+ 285.134593 171.9
[M+K]+ 306.063928 163.4
[M+H-H2O]+ 250.098030 150.1
[M+HCOO]- 312.098971 180.4
[M+CH3COO]- 326.114621 170.9
[M+Na-2H]- 288.075436 163.8
[M]+ 267.10022142 158.2
[M]- 267.10131858 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.