CID 203534

Brn 0630805

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CC1=NC=C(C(=C1O)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OC)CO
InChI
InChI=1S/C19H21N3O3/c1-10-19(24)16(11(9-23)8-21-10)18-17-13(5-6-20-18)14-7-12(25-2)3-4-15(14)22-17/h3-4,7-8,18,20,22-24H,5-6,9H2,1-2H3
InChIKey
JATYSPGBCYHIBN-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-4-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 183.0
[M+Na]+ 362.14752 196.8
[M+NH4]+ 357.19212 189.3
[M+K]+ 378.12146 192.0
[M-H]- 338.15102 184.6
[M+Na-2H]- 360.13297 186.5
[M]+ 339.15775 185.3
[M]- 339.15885 185.3
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.