CID 3075534

184706-24-9

Structural Information

Molecular Formula
C20H23N3O
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C2=NN=C(O2)NC3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-22-23-20(24-19)21-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,21,23)
InChIKey
CKVQGZXGBXBGCS-UHFFFAOYSA-N
Compound name
5-[1-[4-(2-methylpropyl)phenyl]ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 179.2
[M+Na]+ 344.173318 184.8
[M-H]- 320.176824 186.9
[M+NH4]+ 339.217923 190.4
[M+K]+ 360.147258 181.1
[M+H-H2O]+ 304.181360 168.9
[M+HCOO]- 366.182301 199.3
[M+CH3COO]- 380.197951 189.4
[M+Na-2H]- 342.158766 181.1
[M]+ 321.18355142 180.4
[M]- 321.18464858 180.4
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.