CID 44405122

6-chloro-2,3,4,4a,9,9a-hexahydro-1h-carbazole-1-carboxamide

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
C1CC2C(C(C1)C(=O)N)NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C13H15ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,8-9,12,16H,1-3H2,(H2,15,17)
InChIKey
NYORQUCSPQVLTE-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,4a,9,9a-hexahydro-1H-carbazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

218
Patents

250.0873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 155.9
[M+Na]+ 273.07652 163.6
[M-H]- 249.08002 157.6
[M+NH4]+ 268.12112 175.4
[M+K]+ 289.05046 157.1
[M+H-H2O]+ 233.08456 150.4
[M+HCOO]- 295.08550 167.6
[M+CH3COO]- 309.10115 166.7
[M+Na-2H]- 271.06197 157.7
[M]+ 250.08675 151.7
[M]- 250.08785 151.7
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.