CID 89932

22954-14-9

Structural Information

Molecular Formula
C20H23Br2NO2
SMILES
CC(C)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr
InChI
InChI=1S/C20H23Br2NO2/c1-15(2)18-5-3-4-6-19(18)20(24)25-17-9-7-16(8-10-17)23(13-11-21)14-12-22/h3-10,15H,11-14H2,1-2H3
InChIKey
PRMOCPYCVSHNMG-UHFFFAOYSA-N
Compound name
[4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

467.00955 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.01683 179.0
[M+Na]+ 489.99877 173.7
[M+NH4]+ 485.04337 180.2
[M+K]+ 505.97271 179.2
[M-H]- 466.00227 181.0
[M+Na-2H]- 487.98422 180.6
[M]+ 467.00900 177.7
[M]- 467.01010 177.7
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.