CID 24209002

853329-98-3

Structural Information

Molecular Formula
C17H18N2O5
SMILES
C1COCCN1C(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H18N2O5/c20-17(18-8-10-23-11-9-18)7-5-15-4-6-16(24-15)13-2-1-3-14(12-13)19(21)22/h1-4,6,12H,5,7-11H2
InChIKey
SEDULAINAFHBSG-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-3-[5-(3-nitrophenyl)furan-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.128856 177.0
[M+Na]+ 353.110798 180.1
[M-H]- 329.114304 186.0
[M+NH4]+ 348.155403 186.6
[M+K]+ 369.084738 175.3
[M+H-H2O]+ 313.118840 172.4
[M+HCOO]- 375.119781 195.6
[M+CH3COO]- 389.135431 200.4
[M+Na-2H]- 351.096246 180.8
[M]+ 330.12103142 174.8
[M]- 330.12212858 174.8
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.