CID 201172

3380-75-4

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C18H16N2O2/c1-2-4-14-12(3-1)13-7-8-19-17(18(13)20-14)11-5-6-15-16(9-11)22-10-21-15/h1-6,9,17,19-20H,7-8,10H2
InChIKey
ZLAJKSCIINOCQJ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

292.1212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 162.3
[M+Na]+ 315.110418 171.2
[M-H]- 291.113924 168.2
[M+NH4]+ 310.155023 177.5
[M+K]+ 331.084358 166.3
[M+H-H2O]+ 275.118460 155.2
[M+HCOO]- 337.119401 176.3
[M+CH3COO]- 351.135051 173.3
[M+Na-2H]- 313.095866 166.5
[M]+ 292.12065142 160.7
[M]- 292.12174858 160.7
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