CID 3088318

Brn 5153511

Structural Information

Molecular Formula
C29H46N2O2
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NN2C(=CC=C2C)C
InChI
InChI=1S/C29H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-27-19-17-20-28(23-27)33-24-29(32)30-31-25(2)21-22-26(31)3/h17,19-23H,4-16,18,24H2,1-3H3,(H,30,32)
InChIKey
FOMXXYYRAAYBQV-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-(3-pentadecylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.35593 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.36321 222.7
[M+Na]+ 477.34515 224.2
[M-H]- 453.34865 225.8
[M+NH4]+ 472.38975 231.8
[M+K]+ 493.31909 217.9
[M+H-H2O]+ 437.35319 211.9
[M+HCOO]- 499.35413 241.9
[M+CH3COO]- 513.36978 240.6
[M+Na-2H]- 475.33060 217.4
[M]+ 454.35538 230.1
[M]- 454.35648 230.1
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

No patent data available for this compound.