CID 47880

Brn 2909027

Structural Information

Molecular Formula
C26H43Cl2NO2
SMILES
CCCCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C26H43Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-31-26(30)23-24-14-16-25(17-15-24)29(20-18-27)21-19-28/h14-17H,2-13,18-23H2,1H3
InChIKey
GYOHPKQEXPJQSW-UHFFFAOYSA-N
Compound name
tetradecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.2671 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.27438 220.4
[M+Na]+ 494.25632 230.3
[M+NH4]+ 489.30092 226.2
[M+K]+ 510.23026 219.4
[M-H]- 470.25982 222.0
[M+Na-2H]- 492.24177 222.9
[M]+ 471.26655 222.7
[M]- 471.26765 222.7
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.