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]+ 358.155016 184.7
[M+Na]+ 380.136958 192.1
[M-H]- 356.140464 195.7
[M+NH4]+ 375.181563 194.0
[M+K]+ 396.110898 186.9
[M+H-H2O]+ 340.145000 173.0
[M+HCOO]- 402.145941 207.3
[M+CH3COO]- 416.161591 195.2
[M+Na-2H]- 378.122406 189.2
[M]+ 357.14719142 186.7
[M]- 357.14828858 186.7
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.