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]+ 310.15502 173.8
[M+Na]+ 332.13696 182.9
[M-H]- 308.14046 174.0
[M+NH4]+ 327.18156 186.0
[M+K]+ 348.11090 174.4
[M+H-H2O]+ 292.14500 165.4
[M+HCOO]- 354.14594 185.9
[M+CH3COO]- 368.16159 182.7
[M+Na-2H]- 330.12241 176.5
[M]+ 309.14719 170.5
[M]- 309.14829 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.