CID 40194

3-(2-aminopropyl)-2-(p-bromophenyl)indole

Structural Information

Molecular Formula
C17H17BrN2
SMILES
CC(CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C17H17BrN2/c1-11(19)10-15-14-4-2-3-5-16(14)20-17(15)12-6-8-13(18)9-7-12/h2-9,11,20H,10,19H2,1H3
InChIKey
PSNDBTLHKBNKND-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)-1H-indol-3-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0575 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06478 171.7
[M+Na]+ 351.04672 176.3
[M+NH4]+ 346.09132 176.9
[M+K]+ 367.02066 175.8
[M-H]- 327.05022 174.7
[M+Na-2H]- 349.03217 175.9
[M]+ 328.05695 172.1
[M]- 328.05805 172.1
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.