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 165.9
[M+Na]+ 315.11042 180.6
[M+NH4]+ 310.15502 175.3
[M+K]+ 331.08436 177.0
[M-H]- 291.11392 172.4
[M+Na-2H]- 313.09587 170.1
[M]+ 292.12065 169.9
[M]- 292.12175 169.9
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