CID 201252

Brn 0022308

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NN=C(O3)N
InChI
InChI=1S/C15H13N3O/c16-15-18-17-14(19-15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,16,18)
InChIKey
ZVHSBFNKBJJDPN-UHFFFAOYSA-N
Compound name
5-benzhydryl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10587 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 156.9
[M+Na]+ 274.09509 171.5
[M+NH4]+ 269.13969 165.1
[M+K]+ 290.06903 166.4
[M-H]- 250.09859 163.9
[M+Na-2H]- 272.08054 167.3
[M]+ 251.10532 161.0
[M]- 251.10642 161.0
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.