CID 3069853

Tetrahydrokomarovinine

Structural Information

Molecular Formula
C20H17N3
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)N=CC=C5
InChI
InChI=1S/C20H17N3/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/h1-8,10,12,19,22-23H,9,11H2
InChIKey
YWEGYVKTIVFQRJ-UHFFFAOYSA-N
Compound name
1-quinolin-6-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.14224 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14952 171.9
[M+Na]+ 322.13146 189.0
[M+NH4]+ 317.17606 181.8
[M+K]+ 338.10540 180.7
[M-H]- 298.13496 176.9
[M+Na-2H]- 320.11691 179.9
[M]+ 299.14169 176.0
[M]- 299.14279 176.0
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.