CID 3079560

126006-86-8

Structural Information

Molecular Formula
C23H21N3O2
SMILES
CC1=C(C=C(C=C1)NC2=NN=C(O2)COC3=CC=C(C=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C23H21N3O2/c1-16-8-11-20(14-17(16)2)24-23-26-25-22(28-23)15-27-21-12-9-19(10-13-21)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)
InChIKey
ODFKNIBXMFTLPU-UHFFFAOYSA-N
Compound name
N-(3,4-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 190.2
[M+Na]+ 394.15262 198.1
[M-H]- 370.15612 201.5
[M+NH4]+ 389.19722 199.2
[M+K]+ 410.12656 192.7
[M+H-H2O]+ 354.16066 178.6
[M+HCOO]- 416.16160 212.5
[M+CH3COO]- 430.17725 200.6
[M+Na-2H]- 392.13807 193.4
[M]+ 371.16285 193.0
[M]- 371.16395 193.0
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.