CID 3066802

111253-92-0

Structural Information

Molecular Formula
C30H45Cl3N2O2
SMILES
CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Cl)Cl)OC(C)C(=O)NN2C(=CC=C2C)C)Cl
InChI
InChI=1S/C30H45Cl3N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-26(31)21-27(32)29(28(25)33)37-24(4)30(36)34-35-22(2)19-20-23(35)3/h19-21,24H,5-18H2,1-4H3,(H,34,36)
InChIKey
SSJJQHCVCPBZCW-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.25464 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.26192 244.6
[M+Na]+ 593.24386 249.3
[M-H]- 569.24736 246.7
[M+NH4]+ 588.28846 251.5
[M+K]+ 609.21780 239.8
[M+H-H2O]+ 553.25190 236.2
[M+HCOO]- 615.25284 247.5
[M+CH3COO]- 629.26849 257.5
[M+Na-2H]- 591.22931 233.7
[M]+ 570.25409 256.1
[M]- 570.25519 256.1
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.