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]+ 290.14992 164.7
[M+Na]+ 312.13186 168.4
[M-H]- 288.13536 173.8
[M+NH4]+ 307.17646 176.3
[M+K]+ 328.10580 171.2
[M+H-H2O]+ 272.13990 155.3
[M+HCOO]- 334.14084 184.2
[M+CH3COO]- 348.15649 175.1
[M+Na-2H]- 310.11731 166.4
[M]+ 289.14209 161.8
[M]- 289.14319 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.