CID 24753475

10h-quindolinium, 5-(5-cyclohexylpentyl)-, bromide

Structural Information

Molecular Formula
C26H31N2
SMILES
C1CCC(CC1)CCCCC[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C26H30N2/c1-3-11-20(12-4-1)13-5-2-10-18-28-25-17-9-6-14-21(25)19-24-26(28)22-15-7-8-16-23(22)27-24/h6-9,14-17,19-20H,1-5,10-13,18H2/p+1
InChIKey
NLKQMOPOALPYTO-UHFFFAOYSA-O
Compound name
5-(5-cyclohexylpentyl)-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.24872 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.25600 196.1
[M+Na]+ 394.23794 201.8
[M-H]- 370.24144 200.4
[M+NH4]+ 389.28254 208.8
[M+K]+ 410.21188 186.7
[M+H-H2O]+ 354.24598 187.4
[M+HCOO]- 416.24692 209.9
[M+CH3COO]- 430.26257 203.5
[M+Na-2H]- 392.22339 201.3
[M]+ 371.24817 193.4
[M]- 371.24927 193.4
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.