CID 3070614

86683-49-0

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]+ 286.155016 165.5
[M+Na]+ 308.136958 170.2
[M-H]- 284.140464 172.9
[M+NH4]+ 303.181563 179.6
[M+K]+ 324.110898 167.9
[M+H-H2O]+ 268.145000 156.2
[M+HCOO]- 330.145941 186.4
[M+CH3COO]- 344.161591 176.3
[M+Na-2H]- 306.122406 166.8
[M]+ 285.14719142 164.3
[M]- 285.14828858 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.