CID 3088320

Brn 5181324

Structural Information

Molecular Formula
C29H43Cl3N2O2
SMILES
CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Cl)Cl)OCC(=O)NN2C(=CC=C2C)C)Cl
InChI
InChI=1S/C29H43Cl3N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(30)20-26(31)29(28(24)32)36-21-27(35)33-34-22(2)18-19-23(34)3/h18-20H,4-17,21H2,1-3H3,(H,33,35)
InChIKey
ALECPWKGCPQZBH-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.239 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.24628 241.1
[M+Na]+ 579.22822 246.4
[M-H]- 555.23172 243.1
[M+NH4]+ 574.27282 248.5
[M+K]+ 595.20216 236.6
[M+H-H2O]+ 539.23626 232.5
[M+HCOO]- 601.23720 245.1
[M+CH3COO]- 615.25285 254.0
[M+Na-2H]- 577.21367 231.6
[M]+ 556.23845 252.7
[M]- 556.23955 252.7
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.