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 225.4
[M+Na]+ 492.35604 228.0
[M-H]- 468.35954 227.6
[M+NH4]+ 487.40064 232.8
[M+K]+ 508.32998 221.0
[M+H-H2O]+ 452.36408 214.1
[M+HCOO]- 514.36502 243.5
[M+CH3COO]- 528.38067 243.8
[M+Na-2H]- 490.34149 219.5
[M]+ 469.36627 233.0
[M]- 469.36737 233.0
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