CID 3049889

10-chloro-3-methyl-1,2,3,3a,4,5-hexahydro-6h-indolo(3,2,1-de)(1,5)naphthyridin-6-one

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
CN1CCC2=C3C1CCC(=O)N3C4=C2C=C(C=C4)Cl
InChI
InChI=1S/C15H15ClN2O/c1-17-7-6-10-11-8-9(16)2-3-12(11)18-14(19)5-4-13(17)15(10)18/h2-3,8,13H,4-7H2,1H3
InChIKey
HBPLFXZIJUEEPK-UHFFFAOYSA-N
Compound name
12-chloro-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08728 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 162.1
[M+Na]+ 297.07650 173.3
[M-H]- 273.08000 165.0
[M+NH4]+ 292.12110 182.2
[M+K]+ 313.05044 166.5
[M+H-H2O]+ 257.08454 154.7
[M+HCOO]- 319.08548 173.4
[M+CH3COO]- 333.10113 173.8
[M+Na-2H]- 295.06195 166.1
[M]+ 274.08673 164.2
[M]- 274.08783 164.2
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.