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 180.4
[M+Na]+ 358.15262 187.2
[M-H]- 334.15612 182.2
[M+NH4]+ 353.19722 192.1
[M+K]+ 374.12656 180.4
[M+H-H2O]+ 318.16066 170.9
[M+HCOO]- 380.16160 193.0
[M+CH3COO]- 394.17725 188.8
[M+Na-2H]- 356.13807 182.1
[M]+ 335.16285 178.3
[M]- 335.16395 178.3
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.