CID 24208989

853329-23-4

Structural Information

Molecular Formula
C23H24N2O4
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H24N2O4/c1-2-3-5-17-8-10-19(11-9-17)24-23(26)15-13-21-12-14-22(29-21)18-6-4-7-20(16-18)25(27)28/h4,6-12,14,16H,2-3,5,13,15H2,1H3,(H,24,26)
InChIKey
AAKNIPUQLUUCGA-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1736 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 198.2
[M+Na]+ 415.16282 201.5
[M-H]- 391.16632 208.1
[M+NH4]+ 410.20742 208.0
[M+K]+ 431.13676 193.6
[M+H-H2O]+ 375.17086 193.0
[M+HCOO]- 437.17180 221.9
[M+CH3COO]- 451.18745 218.0
[M+Na-2H]- 413.14827 200.5
[M]+ 392.17305 199.4
[M]- 392.17415 199.4
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.