CID 5275157

2-furanpropanamide, 3-(1-naphthalenyl)-n-(2-nitrophenyl)-

Structural Information

Molecular Formula
C23H18N2O4
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=C(OC=C3)CCC(=O)NC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C23H18N2O4/c26-23(24-20-10-3-4-11-21(20)25(27)28)13-12-22-19(14-15-29-22)18-9-5-7-16-6-1-2-8-17(16)18/h1-11,14-15H,12-13H2,(H,24,26)
InChIKey
RIMJFPIBYMHICF-UHFFFAOYSA-N
Compound name
3-(3-naphthalen-1-ylfuran-2-yl)-N-(2-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.12665 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13393 191.7
[M+Na]+ 409.11587 196.8
[M-H]- 385.11937 203.1
[M+NH4]+ 404.16047 202.4
[M+K]+ 425.08981 188.6
[M+H-H2O]+ 369.12391 186.3
[M+HCOO]- 431.12485 216.2
[M+CH3COO]- 445.14050 215.8
[M+Na-2H]- 407.10132 197.7
[M]+ 386.12610 193.0
[M]- 386.12720 193.0
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.