CID 89921

Brn 3068925

Structural Information

Molecular Formula
C23H21Br2NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)N(CCBr)CCBr
InChI
InChI=1S/C23H21Br2NO2/c24-14-16-26(17-15-25)21-10-12-22(13-11-21)28-23(27)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-13H,14-17H2
InChIKey
IUUDHOBDQKMUFS-UHFFFAOYSA-N
Compound name
[4-[bis(2-bromoethyl)amino]phenyl] 4-phenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.9939 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.00118 186.4
[M+Na]+ 523.98312 182.5
[M+NH4]+ 519.02772 188.0
[M+K]+ 539.95706 186.7
[M-H]- 499.98662 190.0
[M+Na-2H]- 521.96857 189.7
[M]+ 500.99335 185.9
[M]- 500.99445 185.9
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.