CID 472151

Bis[(5-bromoindol-3-yl)methyl]methylamine

Structural Information

Molecular Formula
C19H17Br2N3
SMILES
CN(CC1=CNC2=C1C=C(C=C2)Br)CC3=CNC4=C3C=C(C=C4)Br
InChI
InChI=1S/C19H17Br2N3/c1-24(10-12-8-22-18-4-2-14(20)6-16(12)18)11-13-9-23-19-5-3-15(21)7-17(13)19/h2-9,22-23H,10-11H2,1H3
InChIKey
WFCPQJXNHFLTDL-UHFFFAOYSA-N
Compound name
1-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.9789 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.98618 182.7
[M+Na]+ 467.96812 193.9
[M-H]- 443.97162 191.2
[M+NH4]+ 463.01272 198.9
[M+K]+ 483.94206 178.0
[M+H-H2O]+ 427.97616 189.8
[M+HCOO]- 489.97710 197.8
[M+CH3COO]- 503.99275 194.5
[M+Na-2H]- 465.95357 186.4
[M]+ 444.97835 218.0
[M]- 444.97945 218.0
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.