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

No literature data available for this compound.

Patent stripe

patents stripe