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 182.0
[M+Na]+ 362.14752 191.2
[M-H]- 338.15102 182.3
[M+NH4]+ 357.19212 193.1
[M+K]+ 378.12146 183.4
[M+H-H2O]+ 322.15556 173.5
[M+HCOO]- 384.15650 193.8
[M+CH3COO]- 398.17215 190.5
[M+Na-2H]- 360.13297 183.5
[M]+ 339.15775 180.8
[M]- 339.15885 180.8
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.