CID 197964

6-chloro-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-1-one

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C11H9ClN2O/c12-6-1-2-9-8(5-6)7-3-4-13-11(15)10(7)14-9/h1-2,5,14H,3-4H2,(H,13,15)
InChIKey
LEAGCIWJKRFYRT-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

220.04034 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 144.7
[M+Na]+ 243.02956 156.1
[M-H]- 219.03306 145.2
[M+NH4]+ 238.07416 164.3
[M+K]+ 259.00350 148.7
[M+H-H2O]+ 203.03760 138.8
[M+HCOO]- 265.03854 157.8
[M+CH3COO]- 279.05419 157.0
[M+Na-2H]- 241.01501 150.7
[M]+ 220.03979 143.6
[M]- 220.04089 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe