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 179.5
[M+Na]+ 346.15262 189.0
[M-H]- 322.15612 179.8
[M+NH4]+ 341.19722 191.4
[M+K]+ 362.12656 180.3
[M+H-H2O]+ 306.16066 171.1
[M+HCOO]- 368.16160 191.2
[M+CH3COO]- 382.17725 188.1
[M+Na-2H]- 344.13807 180.8
[M]+ 323.16285 176.8
[M]- 323.16395 176.8
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.