CID 821355

Komarovinine

Structural Information

Molecular Formula
C20H13N3
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC5=C(C=C4)N=CC=C5
InChI
InChI=1S/C20H13N3/c1-2-6-18-15(5-1)16-9-11-22-19(20(16)23-18)14-7-8-17-13(12-14)4-3-10-21-17/h1-12,23H
InChIKey
TXUQARZKYUCCOX-UHFFFAOYSA-N
Compound name
1-quinolin-6-yl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.11096 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11824 167.9
[M+Na]+ 318.10018 180.1
[M-H]- 294.10368 173.1
[M+NH4]+ 313.14478 183.0
[M+K]+ 334.07412 170.8
[M+H-H2O]+ 278.10822 157.5
[M+HCOO]- 340.10916 187.2
[M+CH3COO]- 354.12481 179.4
[M+Na-2H]- 316.08563 177.5
[M]+ 295.11041 169.4
[M]- 295.11151 169.4
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.