CID 472128

N-[(5-bromo-1h-indol-3-yl)methyl]-1-(3-chlorophenyl)methanamine

Structural Information

Molecular Formula
C16H14BrClN2
SMILES
C1=CC(=CC(=C1)Cl)CNCC2=CNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C16H14BrClN2/c17-13-4-5-16-15(7-13)12(10-20-16)9-19-8-11-2-1-3-14(18)6-11/h1-7,10,19-20H,8-9H2
InChIKey
QGDYIAJIZWSAGN-UHFFFAOYSA-N
Compound name
N-[(5-bromo-1H-indol-3-yl)methyl]-1-(3-chlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.0029 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01018 172.3
[M+Na]+ 370.99212 185.5
[M-H]- 346.99562 180.1
[M+NH4]+ 366.03672 191.1
[M+K]+ 386.96606 169.8
[M+H-H2O]+ 331.00016 171.4
[M+HCOO]- 393.00110 189.2
[M+CH3COO]- 407.01675 185.7
[M+Na-2H]- 368.97757 178.6
[M]+ 348.00235 192.9
[M]- 348.00345 192.9
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.