CID 6476752

(z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-n,n-dimethyl-prop-2-en-1-amine

Structural Information

Molecular Formula
C23H21BrIN
SMILES
CN(C)C/C=C(/C1=CC=C(C=C1)C2=CC=C(C=C2)Br)\C3=CC=C(C=C3)I
InChI
InChI=1S/C23H21BrIN/c1-26(2)16-15-23(20-9-13-22(25)14-10-20)19-5-3-17(4-6-19)18-7-11-21(24)12-8-18/h3-15H,16H2,1-2H3/b23-15-
InChIKey
KLBZUDINEFIXAF-HAHDFKILSA-N
Compound name
(Z)-3-[4-(4-bromophenyl)phenyl]-3-(4-iodophenyl)-N,N-dimethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

516.99023 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.99751 203.3
[M+Na]+ 539.97945 204.5
[M-H]- 515.98295 207.8
[M+NH4]+ 535.02405 212.9
[M+K]+ 555.95339 197.3
[M+H-H2O]+ 499.98749 196.0
[M+HCOO]- 561.98843 218.3
[M+CH3COO]- 576.00408 231.4
[M+Na-2H]- 537.96490 194.1
[M]+ 516.98968 217.5
[M]- 516.99078 217.5
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.