CID 10915053

951661-82-8

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CNC(=O)[C@H]1CC2=C([C@H](N1)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25
InChI
InChI=1S/C20H19N3O3/c1-21-20(24)15-9-13-12-4-2-3-5-14(12)22-19(13)18(23-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,22-23H,9-10H2,1H3,(H,21,24)/t15-,18-/m1/s1
InChIKey
QWRJNDUNSMFZTP-CRAIPNDOSA-N
Compound name
(1R,3R)-1-(1,3-benzodioxol-5-yl)-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

349.14264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.149916 178.0
[M+Na]+ 372.131858 185.5
[M-H]- 348.135364 184.0
[M+NH4]+ 367.176463 190.5
[M+K]+ 388.105798 181.0
[M+H-H2O]+ 332.139900 170.7
[M+HCOO]- 394.140841 191.4
[M+CH3COO]- 408.156491 187.6
[M+Na-2H]- 370.117306 180.4
[M]+ 349.14209142 177.0
[M]- 349.14318858 177.0
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

patents stripe