CID 11416123

Gsk983

Structural Information

Molecular Formula
C18H16ClN3O
SMILES
C1C[C@H](C2=C(C1)C3=C(N2)C=CC(=C3)Cl)NC(=O)C4=CC=CC=N4
InChI
InChI=1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)/t15-/m1/s1
InChIKey
WJQBOBGVBBZLJU-OAHLLOKOSA-N
Compound name
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

63
Patents

325.09818 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10546 173.7
[M+Na]+ 348.08740 188.8
[M+NH4]+ 343.13200 182.7
[M+K]+ 364.06134 181.6
[M-H]- 324.09090 178.3
[M+Na-2H]- 346.07285 181.0
[M]+ 325.09763 177.4
[M]- 325.09873 177.4
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