CID 3062577

Brn 1601487

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1=NC=C(C(=C1O)C2C3=C(CCN2)C4=CC=CC=C4N3)CO
InChI
InChI=1S/C18H19N3O2/c1-10-18(23)15(11(9-22)8-20-10)17-16-13(6-7-19-17)12-4-2-3-5-14(12)21-16/h2-5,8,17,19,21-23H,6-7,9H2,1H3
InChIKey
RMKMNSBAYXRACM-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-methyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 173.8
[M+Na]+ 332.136958 182.9
[M-H]- 308.140464 174.0
[M+NH4]+ 327.181563 186.0
[M+K]+ 348.110898 174.4
[M+H-H2O]+ 292.145000 165.4
[M+HCOO]- 354.145941 185.9
[M+CH3COO]- 368.161591 182.7
[M+Na-2H]- 330.122406 176.5
[M]+ 309.14719142 170.5
[M]- 309.14828858 170.5
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.