CID 3066662

2,3,4,9-tetrahydro-2-(1-piperidinylacetyl)-1-(3-pyridinyl)-1h-pyrido(3,4-b)indole

Structural Information

Molecular Formula
C23H26N4O
SMILES
CC(N1CCCCC1)(N2C=CC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35)O
InChI
InChI=1S/C23H26N4O/c1-23(28,26-13-5-2-6-14-26)27-15-11-19-18-9-3-4-10-20(18)25-21(19)22(27)17-8-7-12-24-16-17/h3-4,7-12,15-16,22,25,28H,2,5-6,13-14H2,1H3
InChIKey
AMUFEKPACYWJNJ-UHFFFAOYSA-N
Compound name
1-piperidin-1-yl-1-(1-pyridin-3-yl-1,9-dihydropyrido[3,4-b]indol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.21066 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21794 192.7
[M+Na]+ 397.19988 198.1
[M-H]- 373.20338 195.4
[M+NH4]+ 392.24448 200.7
[M+K]+ 413.17382 189.5
[M+H-H2O]+ 357.20792 181.0
[M+HCOO]- 419.20886 201.1
[M+CH3COO]- 433.22451 199.1
[M+Na-2H]- 395.18533 195.8
[M]+ 374.21011 186.5
[M]- 374.21121 186.5
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.