CID 47879

Brn 2904661

Structural Information

Molecular Formula
C24H39Cl2NO2
SMILES
CCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C24H39Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-20-29-24(28)21-22-12-14-23(15-13-22)27(18-16-25)19-17-26/h12-15H,2-11,16-21H2,1H3
InChIKey
HEBYKHCHUCWIIH-UHFFFAOYSA-N
Compound name
dodecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.23578 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.24306 213.8
[M+Na]+ 466.22500 216.4
[M-H]- 442.22850 215.5
[M+NH4]+ 461.26960 225.0
[M+K]+ 482.19894 209.4
[M+H-H2O]+ 426.23304 206.2
[M+HCOO]- 488.23398 225.0
[M+CH3COO]- 502.24963 236.0
[M+Na-2H]- 464.21045 210.3
[M]+ 443.23523 224.7
[M]- 443.23633 224.7
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.