CID 171044

Butanamide, n-(3-amino-4-chlorophenyl)-4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-

Structural Information

Molecular Formula
C26H37ClN2O2
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)N)C(C)(C)CC
InChI
InChI=1S/C26H37ClN2O2/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)31-15-9-10-24(30)29-19-12-13-21(27)22(28)17-19/h11-14,16-17H,7-10,15,28H2,1-6H3,(H,29,30)
InChIKey
BKETUCNJDZSSEV-UHFFFAOYSA-N
Compound name
N-(3-amino-4-chlorophenyl)-4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

444.25436 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.26164 214.7
[M+Na]+ 467.24358 219.4
[M-H]- 443.24708 220.2
[M+NH4]+ 462.28818 224.6
[M+K]+ 483.21752 213.3
[M+H-H2O]+ 427.25162 206.8
[M+HCOO]- 489.25256 228.2
[M+CH3COO]- 503.26821 239.8
[M+Na-2H]- 465.22903 213.6
[M]+ 444.25381 219.9
[M]- 444.25491 219.9
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