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 164.3
[M+Na]+ 319.06200 176.0
[M-H]- 295.06550 165.1
[M+NH4]+ 314.10660 181.8
[M+K]+ 335.03594 169.5
[M+H-H2O]+ 279.07004 157.1
[M+HCOO]- 341.07098 175.8
[M+CH3COO]- 355.08663 175.7
[M+Na-2H]- 317.04745 165.9
[M]+ 296.07223 166.4
[M]- 296.07333 166.4
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