CID 3075533

184706-23-8

Structural Information

Molecular Formula
C20H29N3O
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C2=NN=C(O2)NC3CCCCC3
InChI
InChI=1S/C20H29N3O/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/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,23)
InChIKey
QWZURBKYUONRAN-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.23105 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.23833 182.7
[M+Na]+ 350.22027 185.2
[M-H]- 326.22377 189.1
[M+NH4]+ 345.26487 193.3
[M+K]+ 366.19421 182.1
[M+H-H2O]+ 310.22831 172.2
[M+HCOO]- 372.22925 198.5
[M+CH3COO]- 386.24490 212.9
[M+Na-2H]- 348.20572 181.5
[M]+ 327.23050 179.6
[M]- 327.23160 179.6
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.