CID 89928

22953-57-7

Structural Information

Molecular Formula
C18H19Cl2NO3
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C18H19Cl2NO3/c1-23-16-6-2-14(3-7-16)18(22)24-17-8-4-15(5-9-17)21(12-10-19)13-11-20/h2-9H,10-13H2,1H3
InChIKey
HYSSJKYEXPISGA-UHFFFAOYSA-N
Compound name
[4-[bis(2-chloroethyl)amino]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.0742 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08148 182.6
[M+Na]+ 390.06342 197.0
[M+NH4]+ 385.10802 190.5
[M+K]+ 406.03736 188.2
[M-H]- 366.06692 187.0
[M+Na-2H]- 388.04887 190.8
[M]+ 367.07365 186.6
[M]- 367.07475 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.