CID 3088788

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

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC(C)OC(=O)C1CC2=C(C(N1)C3=CN=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C20H21N3O2/c1-12(2)25-20(24)17-10-15-14-7-3-4-8-16(14)22-19(15)18(23-17)13-6-5-9-21-11-13/h3-9,11-12,17-18,22-23H,10H2,1-2H3
InChIKey
IQHNSNZMJCCYGA-UHFFFAOYSA-N
Compound name
propan-2-yl 1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 180.6
[M+Na]+ 358.15262 194.0
[M+NH4]+ 353.19722 187.5
[M+K]+ 374.12656 188.9
[M-H]- 334.15612 182.8
[M+Na-2H]- 356.13807 185.7
[M]+ 335.16285 183.0
[M]- 335.16395 183.0
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.