CID 3079559

126006-85-7

Structural Information

Molecular Formula
C23H21N3O2
SMILES
CC1=CC(=C(C=C1)NC2=NN=C(O2)COC3=CC=C(C=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C23H21N3O2/c1-16-8-13-21(17(2)14-16)24-23-26-25-22(28-23)15-27-20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)
InChIKey
JBRBPRNSKBWSQT-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1634 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17068 191.9
[M+Na]+ 394.15262 209.0
[M+NH4]+ 389.19722 199.5
[M+K]+ 410.12656 201.6
[M-H]- 370.15612 201.5
[M+Na-2H]- 392.13807 203.6
[M]+ 371.16285 197.3
[M]- 371.16395 197.3
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.