CID 489665

1h-indole-3-propanamine, 2-(3-bromophenyl)-n,n-dimethyl-4-phenyl-

Structural Information

Molecular Formula
C25H25BrN2
SMILES
CN(C)CCCC1=C(NC2=CC=CC(=C21)C3=CC=CC=C3)C4=CC(=CC=C4)Br
InChI
InChI=1S/C25H25BrN2/c1-28(2)16-8-14-22-24-21(18-9-4-3-5-10-18)13-7-15-23(24)27-25(22)19-11-6-12-20(26)17-19/h3-7,9-13,15,17,27H,8,14,16H2,1-2H3
InChIKey
BGMWDASEDJJOJD-UHFFFAOYSA-N
Compound name
3-[2-(3-bromophenyl)-4-phenyl-1H-indol-3-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.12012 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12740 202.9
[M+Na]+ 455.10934 212.8
[M-H]- 431.11284 214.4
[M+NH4]+ 450.15394 217.5
[M+K]+ 471.08328 198.6
[M+H-H2O]+ 415.11738 199.6
[M+HCOO]- 477.11832 222.7
[M+CH3COO]- 491.13397 214.2
[M+Na-2H]- 453.09479 205.2
[M]+ 432.11957 222.9
[M]- 432.12067 222.9
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.