CID 16076726

N-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanamine

Structural Information

Molecular Formula
C23H33N3
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCN3CCC4=C(C3)NC5=CC=CC=C45)C
InChI
InChI=1S/C23H33N3/c1-23(2)17-8-7-16(20(23)13-17)14-24-10-12-26-11-9-19-18-5-3-4-6-21(18)25-22(19)15-26/h3-6,16-17,20,24-25H,7-15H2,1-2H3/t16-,17-,20-/m0/s1
InChIKey
LERUGTAXSNWUDG-ZWOKBUDYSA-N
Compound name
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.26746 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.27474 191.4
[M+Na]+ 374.25668 194.3
[M-H]- 350.26018 190.1
[M+NH4]+ 369.30128 204.0
[M+K]+ 390.23062 189.9
[M+H-H2O]+ 334.26472 177.1
[M+HCOO]- 396.26566 197.2
[M+CH3COO]- 410.28131 197.1
[M+Na-2H]- 372.24213 195.7
[M]+ 351.26691 199.2
[M]- 351.26801 199.2
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.