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

99
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 155.5
[M+Na]+ 271.12057 163.7
[M-H]- 247.12407 158.6
[M+NH4]+ 266.16517 172.3
[M+K]+ 287.09451 155.7
[M+H-H2O]+ 231.12861 147.1
[M+HCOO]- 293.12955 172.2
[M+CH3COO]- 307.14520 166.3
[M+Na-2H]- 269.10602 161.8
[M]+ 248.13080 150.7
[M]- 248.13190 150.7
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

No patent data available for this compound.