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

65
Patents

292.1212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 162.3
[M+Na]+ 315.11042 171.2
[M-H]- 291.11392 168.2
[M+NH4]+ 310.15502 177.5
[M+K]+ 331.08436 166.3
[M+H-H2O]+ 275.11846 155.2
[M+HCOO]- 337.11940 176.3
[M+CH3COO]- 351.13505 173.3
[M+Na-2H]- 313.09587 166.5
[M]+ 292.12065 160.7
[M]- 292.12175 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