CID 198967

3574-01-4

Structural Information

Molecular Formula
C17H16N2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4
InChI
InChI=1S/C17H16N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-9,16,18-19H,10-11H2
InChIKey
INERHEQVAVQJBO-UHFFFAOYSA-N
Compound name
1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

105
Patents

248.13135 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13863 157.6
[M+Na]+ 271.12057 173.2
[M+NH4]+ 266.16517 167.6
[M+K]+ 287.09451 165.7
[M-H]- 247.12407 162.3
[M+Na-2H]- 269.10602 165.9
[M]+ 248.13080 161.3
[M]- 248.13190 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe