CID 374103

Nsc651365

Structural Information

Molecular Formula
C26H24N2O5
SMILES
CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H24N2O5/c1-2-33-26(30)24(15-17-11-13-18(14-12-17)28(31)32)27-25(29)16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23-24H,2,15-16H2,1H3,(H,27,29)
InChIKey
CZDHNHKGWOVFMP-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-(4-nitrophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.16852 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17580 207.1
[M+Na]+ 467.15774 208.8
[M-H]- 443.16124 214.3
[M+NH4]+ 462.20234 217.3
[M+K]+ 483.13168 200.7
[M+H-H2O]+ 427.16578 202.1
[M+HCOO]- 489.16672 226.7
[M+CH3COO]- 503.18237 228.3
[M+Na-2H]- 465.14319 209.1
[M]+ 444.16797 207.9
[M]- 444.16907 207.9
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.