CID 3045964

2,3,4,9-tetrahydro-1-(3-indolylmethyl)-1h-pyrido(3,4-b)indol-6-ol (e)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C20H19N3O
SMILES
C1CNC(C2=C1C3=C(N2)C=CC(=C3)O)CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C20H19N3O/c24-13-5-6-18-16(10-13)15-7-8-21-19(20(15)23-18)9-12-11-22-17-4-2-1-3-14(12)17/h1-6,10-11,19,21-24H,7-9H2
InChIKey
BWCNYKYIFWYBKY-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1528 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16008 175.5
[M+Na]+ 340.14202 190.2
[M+NH4]+ 335.18662 183.9
[M+K]+ 356.11596 185.6
[M-H]- 316.14552 178.5
[M+Na-2H]- 338.12747 180.6
[M]+ 317.15225 178.4
[M]- 317.15335 178.4
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.