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 169.0
[M+Na]+ 322.13146 177.8
[M-H]- 298.13496 171.7
[M+NH4]+ 317.17606 183.1
[M+K]+ 338.10540 168.2
[M+H-H2O]+ 282.13950 158.8
[M+HCOO]- 344.14044 182.7
[M+CH3COO]- 358.15609 178.4
[M+Na-2H]- 320.11691 175.3
[M]+ 299.14169 164.7
[M]- 299.14279 164.7
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.