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]+ 322.19138 179.2
[M+Na]+ 344.17332 184.8
[M-H]- 320.17682 186.9
[M+NH4]+ 339.21792 190.4
[M+K]+ 360.14726 181.1
[M+H-H2O]+ 304.18136 168.9
[M+HCOO]- 366.18230 199.3
[M+CH3COO]- 380.19795 189.4
[M+Na-2H]- 342.15877 181.1
[M]+ 321.18355 180.4
[M]- 321.18465 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.