CID 3076917

1-(2-piperidinyl)-1,2,3,4-tetrahydro-beta-carboline

Structural Information

Molecular Formula
C16H21N3
SMILES
C1CCNC(C1)C2C3=C(CCN2)C4=CC=CC=C4N3
InChI
InChI=1S/C16H21N3/c1-2-6-13-11(5-1)12-8-10-18-16(15(12)19-13)14-7-3-4-9-17-14/h1-2,5-6,14,16-19H,3-4,7-10H2
InChIKey
HJYUFGAXUPHVMS-UHFFFAOYSA-N
Compound name
1-piperidin-2-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18083 159.7
[M+Na]+ 278.16277 164.7
[M-H]- 254.16627 159.0
[M+NH4]+ 273.20737 173.8
[M+K]+ 294.13671 156.6
[M+H-H2O]+ 238.17081 150.5
[M+HCOO]- 300.17175 169.5
[M+CH3COO]- 314.18740 167.8
[M+Na-2H]- 276.14822 162.8
[M]+ 255.17300 149.0
[M]- 255.17410 149.0
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.