CID 3079557

126006-83-5

Structural Information

Molecular Formula
C22H19N3O2
SMILES
CC1=CC(=CC=C1)NC2=NN=C(O2)COC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19N3O2/c1-16-6-5-9-19(14-16)23-22-25-24-21(27-22)15-26-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKey
ZXQMWSDONKHCQV-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.14774 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15502 187.1
[M+Na]+ 380.13696 204.1
[M+NH4]+ 375.18156 194.9
[M+K]+ 396.11090 196.7
[M-H]- 356.14046 196.7
[M+Na-2H]- 378.12241 199.4
[M]+ 357.14719 192.5
[M]- 357.14829 192.5
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.