CID 137943015

2287331-29-5

Structural Information

Molecular Formula
C14H14ClFN2O2
SMILES
CN1C2=C(CN(CC2)C(=O)CO)C3=C1C(=C(C=C3)Cl)F
InChI
InChI=1S/C14H14ClFN2O2/c1-17-11-4-5-18(12(20)7-19)6-9(11)8-2-3-10(15)13(16)14(8)17/h2-3,19H,4-7H2,1H3
InChIKey
MLRXPYAADOGYND-UHFFFAOYSA-N
Compound name
1-(7-chloro-6-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.07278 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08006 163.1
[M+Na]+ 319.06200 176.3
[M+NH4]+ 314.10660 170.6
[M+K]+ 335.03594 171.3
[M-H]- 295.06550 162.7
[M+Na-2H]- 317.04745 165.9
[M]+ 296.07223 165.0
[M]- 296.07333 165.0
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