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 172.5
[M+Na]+ 351.04672 183.8
[M-H]- 327.05022 180.0
[M+NH4]+ 346.09132 190.8
[M+K]+ 367.02066 169.8
[M+H-H2O]+ 311.05476 171.1
[M+HCOO]- 373.05570 192.0
[M+CH3COO]- 387.07135 185.4
[M+Na-2H]- 349.03217 176.5
[M]+ 328.05695 189.8
[M]- 328.05805 189.8
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.