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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.11315	155.8
[M+Na]+	274.09509	163.1
[M-H]-	250.09859	163.3
[M+NH4]+	269.13969	169.4
[M+K]+	290.06903	159.6
[M+H-H2O]+	234.10313	146.1
[M+HCOO]-	296.10407	178.0
[M+CH3COO]-	310.11972	167.7
[M+Na-2H]-	272.08054	161.3
[M]+	251.10532	154.5
[M]-	251.10642	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe