CID 159850

Stampyrine

Structural Information

Molecular Formula
C29H47N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C29H47N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(33)30-28-25(2)31(3)32(29(28)34)26-22-19-18-20-23-26/h18-20,22-23H,4-17,21,24H2,1-3H3,(H,30,33)
InChIKey
CWCFMHSWXZMDBD-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

469.36682 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.37410 226.4
[M+Na]+ 492.35604 235.6
[M+NH4]+ 487.40064 230.1
[M+K]+ 508.32998 228.1
[M-H]- 468.35954 228.0
[M+Na-2H]- 490.34149 228.6
[M]+ 469.36627 227.9
[M]- 469.36737 227.9
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

No patent data available for this compound.