CID 3076918

Brn 4260340

Structural Information

Molecular Formula
C16H21N3
SMILES
C1CC(CNC1)C2C3=C(CCN2)C4=CC=CC=C4N3
InChI
InChI=1S/C16H21N3/c1-2-6-14-12(5-1)13-7-9-18-15(16(13)19-14)11-4-3-8-17-10-11/h1-2,5-6,11,15,17-19H,3-4,7-10H2
InChIKey
WYGBNKLPTJQQFW-UHFFFAOYSA-N
Compound name
1-piperidin-3-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

255.17355 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18083 161.9
[M+Na]+ 278.16277 174.1
[M+NH4]+ 273.20737 170.7
[M+K]+ 294.13671 168.0
[M-H]- 254.16627 164.6
[M+Na-2H]- 276.14822 166.6
[M]+ 255.17300 164.2
[M]- 255.17410 164.2
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.