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]+ 300.149516 169.0
[M+Na]+ 322.131458 177.8
[M-H]- 298.134964 171.7
[M+NH4]+ 317.176063 183.1
[M+K]+ 338.105398 168.2
[M+H-H2O]+ 282.139500 158.8
[M+HCOO]- 344.140441 182.7
[M+CH3COO]- 358.156091 178.4
[M+Na-2H]- 320.116906 175.3
[M]+ 299.14169142 164.7
[M]- 299.14278858 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.