CID 4182576

63966-94-9

Structural Information

Molecular Formula
C28H44N2O5
SMILES
CCCCCCCCCCCCCCCCCCC1CC(=O)N(C1=O)C2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C28H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21-27(32)29(28(23)33)25-20-19-24(30(34)35)22-26(25)31/h19-20,22-23,31H,2-18,21H2,1H3
InChIKey
LTYDVZQCXSCIAG-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4-nitrophenyl)-3-octadecylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

488.325 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.33228 229.5
[M+Na]+ 511.31422 230.1
[M-H]- 487.31772 231.3
[M+NH4]+ 506.35882 235.9
[M+K]+ 527.28816 219.6
[M+H-H2O]+ 471.32226 224.2
[M+HCOO]- 533.32320 245.9
[M+CH3COO]- 547.33885 235.9
[M+Na-2H]- 509.29967 224.3
[M]+ 488.32445 233.1
[M]- 488.32555 233.1
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

patents stripe