CID 87118

1-octadecyl-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C22H39NO2
SMILES
CCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O
InChI
InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(23)25/h18-19H,2-17,20H2,1H3
InChIKey
HOLZCMFSCBLOLX-UHFFFAOYSA-N
Compound name
1-octadecylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2790
Patents

349.29807 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.30535 193.9
[M+Na]+ 372.28729 196.9
[M-H]- 348.29079 193.7
[M+NH4]+ 367.33189 207.8
[M+K]+ 388.26123 191.9
[M+H-H2O]+ 332.29533 185.4
[M+HCOO]- 394.29627 212.8
[M+CH3COO]- 408.31192 217.9
[M+Na-2H]- 370.27274 190.5
[M]+ 349.29752 200.6
[M]- 349.29862 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe