CID 3079556

126006-82-4

Structural Information

Molecular Formula
C22H19N3O2
SMILES
CC1=CC=CC=C1NC2=NN=C(O2)COC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19N3O2/c1-16-7-5-6-10-20(16)23-22-25-24-21(27-22)15-26-19-13-11-18(12-14-19)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,23,25)
InChIKey
VKWWUUKWXLISRP-UHFFFAOYSA-N
Compound name
N-(2-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 184.7
[M+Na]+ 380.13696 192.1
[M-H]- 356.14046 195.7
[M+NH4]+ 375.18156 194.0
[M+K]+ 396.11090 186.9
[M+H-H2O]+ 340.14500 173.0
[M+HCOO]- 402.14594 207.3
[M+CH3COO]- 416.16159 195.2
[M+Na-2H]- 378.12241 189.2
[M]+ 357.14719 186.7
[M]- 357.14829 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.