CID 201187

3380-84-5

Structural Information

Molecular Formula
C16H15N3
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=NC=C4
InChI
InChI=1S/C16H15N3/c1-2-4-14-12(3-1)13-7-10-18-15(16(13)19-14)11-5-8-17-9-6-11/h1-6,8-9,15,18-19H,7,10H2
InChIKey
MTYAQGYHCVXXRK-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1266 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.133876 155.9
[M+Na]+ 272.115818 164.5
[M-H]- 248.119324 157.7
[M+NH4]+ 267.160423 171.2
[M+K]+ 288.089758 156.5
[M+H-H2O]+ 232.123860 146.6
[M+HCOO]- 294.124801 171.5
[M+CH3COO]- 308.140451 166.3
[M+Na-2H]- 270.101266 162.6
[M]+ 249.12605142 151.3
[M]- 249.12714858 151.3
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.