CID 5112874

3'-amino-4'-chloro-2-(2,4-di-tert-pentylphenoxy)acetanilide

Structural Information

Molecular Formula
C24H33ClN2O2
SMILES
CCCCCC1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)Cl)N)CCCCC
InChI
InChI=1S/C24H33ClN2O2/c1-3-5-7-9-18-11-14-23(19(15-18)10-8-6-4-2)29-17-24(28)27-20-12-13-21(25)22(26)16-20/h11-16H,3-10,17,26H2,1-2H3,(H,27,28)
InChIKey
PUPTYDFTISCKEN-UHFFFAOYSA-N
Compound name
N-(3-amino-4-chlorophenyl)-2-(2,4-dipentylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.22305 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23033 206.6
[M+Na]+ 439.21227 211.5
[M-H]- 415.21577 211.7
[M+NH4]+ 434.25687 217.5
[M+K]+ 455.18621 204.4
[M+H-H2O]+ 399.22031 197.9
[M+HCOO]- 461.22125 224.0
[M+CH3COO]- 475.23690 232.9
[M+Na-2H]- 437.19772 204.4
[M]+ 416.22250 212.1
[M]- 416.22360 212.1
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.