CID 11688531

831203-68-0

Structural Information

Molecular Formula
C16H17N3O5
SMILES
C1COCCN1C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O5/c20-16(14-5-6-15(24-14)19(21)22)17-11-12-1-3-13(4-2-12)18-7-9-23-10-8-18/h1-6H,7-11H2,(H,17,20)
InChIKey
YARNDZABFLONAY-UHFFFAOYSA-N
Compound name
N-[(4-morpholin-4-ylphenyl)methyl]-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

331.11682 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.124096 175.0
[M+Na]+ 354.106038 177.4
[M-H]- 330.109544 183.9
[M+NH4]+ 349.150643 184.1
[M+K]+ 370.079978 172.8
[M+H-H2O]+ 314.114080 170.1
[M+HCOO]- 376.115021 194.9
[M+CH3COO]- 390.130671 202.3
[M+Na-2H]- 352.091486 180.1
[M]+ 331.11627142 171.8
[M]- 331.11736858 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe