CID 3045953

61326-45-2

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C1CNC(C2=C1C3=C(N2)C=CC(=C3)O)CC4=CNC5=C4C=C(C=C5)O
InChI
InChI=1S/C20H19N3O2/c24-12-1-3-17-15(8-12)11(10-22-17)7-19-20-14(5-6-21-19)16-9-13(25)2-4-18(16)23-20/h1-4,8-10,19,21-25H,5-7H2
InChIKey
NBKYDQZORUGVDA-UHFFFAOYSA-N
Compound name
1-[(5-hydroxy-1H-indol-3-yl)methyl]-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

333.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 175.8
[M+Na]+ 356.13696 185.6
[M-H]- 332.14046 176.7
[M+NH4]+ 351.18156 189.2
[M+K]+ 372.11090 175.9
[M+H-H2O]+ 316.14500 168.5
[M+HCOO]- 378.14594 187.9
[M+CH3COO]- 392.16159 184.7
[M+Na-2H]- 354.12241 178.0
[M]+ 333.14719 172.9
[M]- 333.14829 172.9
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.