CID 3079066

Brn 4585117

Structural Information

Molecular Formula
C31H50N2O2
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)(C)C(=O)NN2C(=CC=C2C)C
InChI
InChI=1S/C31H50N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-28-21-19-22-29(25-28)35-31(4,5)30(34)32-33-26(2)23-24-27(33)3/h19,21-25H,6-18,20H2,1-5H3,(H,32,34)
InChIKey
FMUNSFBOUPIJIF-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-methyl-2-(3-pentadecylphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.38724 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.39452 231.8
[M+Na]+ 505.37646 232.8
[M-H]- 481.37996 235.0
[M+NH4]+ 500.42106 239.9
[M+K]+ 521.35040 226.7
[M+H-H2O]+ 465.38450 221.5
[M+HCOO]- 527.38544 248.8
[M+CH3COO]- 541.40109 246.9
[M+Na-2H]- 503.36191 226.6
[M]+ 482.38669 239.5
[M]- 482.38779 239.5
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.