CID 169438278

Dodecyl 2-(2-((2,6-dichlorophenyl)amino)phenyl)acetate

Structural Information

Molecular Formula
C26H35Cl2NO2
SMILES
CCCCCCCCCCCCOC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C26H35Cl2NO2/c1-2-3-4-5-6-7-8-9-10-13-19-31-25(30)20-21-15-11-12-18-24(21)29-26-22(27)16-14-17-23(26)28/h11-12,14-18,29H,2-10,13,19-20H2,1H3
InChIKey
UUQZGDSAKZCSLI-UHFFFAOYSA-N
Compound name
dodecyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.2045 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.21178 216.1
[M+Na]+ 486.19372 220.6
[M-H]- 462.19722 220.3
[M+NH4]+ 481.23832 225.9
[M+K]+ 502.16766 211.9
[M+H-H2O]+ 446.20176 207.7
[M+HCOO]- 508.20270 227.4
[M+CH3COO]- 522.21835 236.5
[M+Na-2H]- 484.17917 213.5
[M]+ 463.20395 224.9
[M]- 463.20505 224.9
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.