CID 47878

Brn 2901884

Structural Information

Molecular Formula
C23H37Cl2NO2
SMILES
CCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C23H37Cl2NO2/c1-2-3-4-5-6-7-8-9-10-19-28-23(27)20-21-11-13-22(14-12-21)26(17-15-24)18-16-25/h11-14H,2-10,15-20H2,1H3
InChIKey
KXQOWLUWNIVZES-UHFFFAOYSA-N
Compound name
undecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.22012 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.22740 209.4
[M+Na]+ 452.20934 212.3
[M-H]- 428.21284 211.3
[M+NH4]+ 447.25394 221.1
[M+K]+ 468.18328 205.6
[M+H-H2O]+ 412.21738 201.9
[M+HCOO]- 474.21832 220.9
[M+CH3COO]- 488.23397 233.1
[M+Na-2H]- 450.19479 206.4
[M]+ 429.21957 219.9
[M]- 429.22067 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.