CID 2825121

50671-00-6

Structural Information

Molecular Formula
C24H33ClN2O2
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)Cl)N)C(C)(C)CC
InChI
InChI=1S/C24H33ClN2O2/c1-7-23(3,4)16-9-12-21(18(13-16)24(5,6)8-2)29-15-22(28)27-17-10-11-19(25)20(26)14-17/h9-14H,7-8,15,26H2,1-6H3,(H,27,28)
InChIKey
VJBWNWHIBDSGSK-UHFFFAOYSA-N
Compound name
N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

416.22305 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23033 205.7
[M+Na]+ 439.21227 211.3
[M-H]- 415.21577 211.6
[M+NH4]+ 434.25687 216.8
[M+K]+ 455.18621 205.6
[M+H-H2O]+ 399.22031 198.3
[M+HCOO]- 461.22125 219.9
[M+CH3COO]- 475.23690 234.0
[M+Na-2H]- 437.19772 205.6
[M]+ 416.22250 210.3
[M]- 416.22360 210.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe