CID 3070614

Brn 5582112

Structural Information

Molecular Formula
C16H19N3O2
SMILES
C1CCN(C1)CCC(=O)NC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3O2/c20-15(8-11-19-9-4-5-10-19)17-16-12-14(18-21-16)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,17,20)
InChIKey
DQPHFLVHTJFYAN-UHFFFAOYSA-N
Compound name
N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 165.5
[M+Na]+ 308.13696 170.2
[M-H]- 284.14046 172.9
[M+NH4]+ 303.18156 179.6
[M+K]+ 324.11090 167.9
[M+H-H2O]+ 268.14500 156.2
[M+HCOO]- 330.14594 186.4
[M+CH3COO]- 344.16159 176.3
[M+Na-2H]- 306.12241 166.8
[M]+ 285.14719 164.3
[M]- 285.14829 164.3
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.