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 167.7
[M+Na]+ 308.17332 171.7
[M-H]- 284.17682 174.8
[M+NH4]+ 303.21792 181.9
[M+K]+ 324.14726 169.2
[M+H-H2O]+ 268.18136 158.1
[M+HCOO]- 330.18230 187.8
[M+CH3COO]- 344.19795 178.1
[M+Na-2H]- 306.15877 168.3
[M]+ 285.18355 166.1
[M]- 285.18465 166.1
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

patents stripe