CID 3062578

3-pyridinemethanol, 5-hydroxy-6-methyl-4-(2,3,4,9-tetrahydro-3-methyl-1h-pyrido(3,4-b)indol-1-yl)-

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1CC2=C(C(N1)C3=C(C(=NC=C3CO)C)O)NC4=CC=CC=C24
InChI
InChI=1S/C19H21N3O2/c1-10-7-14-13-5-3-4-6-15(13)22-17(14)18(21-10)16-12(9-23)8-20-11(2)19(16)24/h3-6,8,10,18,21-24H,7,9H2,1-2H3
InChIKey
IUVMBVLUOWFXEP-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-methyl-4-(3-methyl-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

323.1634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 179.7
[M+Na]+ 346.15262 194.0
[M+NH4]+ 341.19722 186.7
[M+K]+ 362.12656 188.8
[M-H]- 322.15612 181.9
[M+Na-2H]- 344.13807 183.8
[M]+ 323.16285 182.3
[M]- 323.16395 182.3
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.