CID 55531

Brn 5566211

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC(CCN1CCCC1)NC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C17H23N3O/c1-14(9-12-20-10-5-6-11-20)18-17-13-16(19-21-17)15-7-3-2-4-8-15/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3
InChIKey
IUGZAATUHMFRJM-UHFFFAOYSA-N
Compound name
3-phenyl-N-(4-pyrrolidin-1-ylbutan-2-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 169.2
[M+Na]+ 308.17332 179.8
[M+NH4]+ 303.21792 176.8
[M+K]+ 324.14726 176.9
[M-H]- 284.17682 175.0
[M+Na-2H]- 306.15877 176.1
[M]+ 285.18355 172.2
[M]- 285.18465 172.2
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.