CID 216925

37853-39-7

Structural Information

Molecular Formula
C15H19N3O3
SMILES
C1CCCN(CC1)CC(=O)NC2=CC(=NO2)C3=CC=CO3
InChI
InChI=1S/C15H19N3O3/c19-14(11-18-7-3-1-2-4-8-18)16-15-10-12(17-21-15)13-6-5-9-20-13/h5-6,9-10H,1-4,7-8,11H2,(H,16,19)
InChIKey
GVBIWDXESRLBSO-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.149916 164.7
[M+Na]+ 312.131858 168.4
[M-H]- 288.135364 173.8
[M+NH4]+ 307.176463 176.3
[M+K]+ 328.105798 171.2
[M+H-H2O]+ 272.139900 155.3
[M+HCOO]- 334.140841 184.2
[M+CH3COO]- 348.156491 175.1
[M+Na-2H]- 310.117306 166.4
[M]+ 289.14209142 161.8
[M]- 289.14318858 161.8
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.