CID 3020114

Pqnjpwtvygxvtk-uhfffaoysa-n

Structural Information

Molecular Formula
C38H71NO2
SMILES
CCCCCCCCCCCCCCCCCCN1C(=O)CC(C1=O)CC=CCCCCCCCCCCCCC
InChI
InChI=1S/C38H71NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39-37(40)35-36(38(39)41)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h29,31,36H,3-28,30,32-35H2,1-2H3
InChIKey
PQNJPWTVYGXVTK-UHFFFAOYSA-N
Compound name
3-hexadec-2-enyl-1-octadecylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.54846 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.555736 260.9
[M+Na]+ 596.537678 257.3
[M-H]- 572.541184 240.3
[M+NH4]+ 591.582283 257.3
[M+K]+ 612.511618 248.0
[M+H-H2O]+ 556.545720 250.2
[M+HCOO]- 618.546661 273.5
[M+CH3COO]- 632.562311 264.4
[M+Na-2H]- 594.523126 248.1
[M]+ 573.54791142 271.5
[M]- 573.54900858 271.5
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.