CID 169289

31352-16-6

Structural Information

Molecular Formula
C24H23BrN3
SMILES
CCN(CC)C1=CC=C(C=C1)C2=[N+](C3=C4C2=CC=CC4=C(C=C3)Br)CCC#N
InChI
InChI=1S/C24H23BrN3/c1-3-27(4-2)18-11-9-17(10-12-18)24-20-8-5-7-19-21(25)13-14-22(23(19)20)28(24)16-6-15-26/h5,7-14H,3-4,6,16H2,1-2H3/q+1
InChIKey
BGBCQOAUTXDSAC-UHFFFAOYSA-N
Compound name
3-[6-bromo-2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.10754 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11482 201.4
[M+Na]+ 455.09676 208.5
[M+NH4]+ 450.14136 204.8
[M+K]+ 471.07070 203.0
[M-H]- 431.10026 200.0
[M+Na-2H]- 453.08221 202.6
[M]+ 432.10699 200.8
[M]- 432.10809 200.8
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.