CID 24753573

10h-quindolinium, 2-bromo-10-methyl-5-(5-phenylpentyl)-, bromide

Structural Information

Molecular Formula
C27H26BrN2
SMILES
CN1C2=CC=CC=C2C3=C1C=C4C=C(C=CC4=[N+]3CCCCCC5=CC=CC=C5)Br
InChI
InChI=1S/C27H26BrN2/c1-29-25-14-8-7-13-23(25)27-26(29)19-21-18-22(28)15-16-24(21)30(27)17-9-3-6-12-20-10-4-2-5-11-20/h2,4-5,7-8,10-11,13-16,18-19H,3,6,9,12,17H2,1H3/q+1
InChIKey
HUHHAPYXIRXRSF-UHFFFAOYSA-N
Compound name
2-bromo-10-methyl-5-(5-phenylpentyl)indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.12793 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.13521 217.5
[M+Na]+ 480.11715 229.7
[M-H]- 456.12065 227.0
[M+NH4]+ 475.16175 232.0
[M+K]+ 496.09109 209.8
[M+H-H2O]+ 440.12519 216.0
[M+HCOO]- 502.12613 234.1
[M+CH3COO]- 516.14178 227.9
[M+Na-2H]- 478.10260 223.6
[M]+ 457.12738 239.9
[M]- 457.12848 239.9
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.