CID 89004

Brn 3065889

Structural Information

Molecular Formula
C19H21Cl2NO2
SMILES
CC1=C(C(=CC=C1)C)C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C19H21Cl2NO2/c1-14-4-3-5-15(2)18(14)19(23)24-17-8-6-16(7-9-17)22(12-10-20)13-11-21/h3-9H,10-13H2,1-2H3
InChIKey
TZLVOSZIPXICJI-UHFFFAOYSA-N
Compound name
[4-[bis(2-chloroethyl)amino]phenyl] 2,6-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.09494 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10222 184.5
[M+Na]+ 388.08416 199.5
[M+NH4]+ 383.12876 192.8
[M+K]+ 404.05810 190.1
[M-H]- 364.08766 189.4
[M+Na-2H]- 386.06961 192.6
[M]+ 365.09439 188.8
[M]- 365.09549 188.8
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.