CID 3068594

Phenol, p-(bis(2-chloroethyl)amino)-, myristate

Structural Information

Molecular Formula
C24H39Cl2NO2
SMILES
CCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C24H39Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-24(28)29-23-16-14-22(15-17-23)27(20-18-25)21-19-26/h14-17H,2-13,18-21H2,1H3
InChIKey
KJOVBILBBRGVQK-UHFFFAOYSA-N
Compound name
[4-[bis(2-chloroethyl)amino]phenyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.23578 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.24306 211.6
[M+Na]+ 466.22500 221.9
[M+NH4]+ 461.26960 217.8
[M+K]+ 482.19894 211.5
[M-H]- 442.22850 213.3
[M+Na-2H]- 464.21045 214.7
[M]+ 443.23523 214.0
[M]- 443.23633 214.0
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.