CID 24753575

10-methyl-5-(5-phenylpentyl)indolo[3,2-b]quinolin-5-ium

Structural Information

Molecular Formula
C27H27N2
SMILES
CN1C2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C31)CCCCCC5=CC=CC=C5
InChI
InChI=1S/C27H27N2/c1-28-25-18-10-8-16-23(25)27-26(28)20-22-15-7-9-17-24(22)29(27)19-11-3-6-14-21-12-4-2-5-13-21/h2,4-5,7-10,12-13,15-18,20H,3,6,11,14,19H2,1H3/q+1
InChIKey
SVRURUBUTHKNGU-UHFFFAOYSA-N
Compound name
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

379.21744 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22472 201.7
[M+Na]+ 402.20666 211.2
[M-H]- 378.21016 208.7
[M+NH4]+ 397.25126 215.2
[M+K]+ 418.18060 196.3
[M+H-H2O]+ 362.21470 192.7
[M+HCOO]- 424.21564 220.6
[M+CH3COO]- 438.23129 211.0
[M+Na-2H]- 400.19211 208.6
[M]+ 379.21689 205.5
[M]- 379.21799 205.5
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.