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]+ 275.094556 162.1
[M+Na]+ 297.076498 173.3
[M-H]- 273.080004 165.0
[M+NH4]+ 292.121103 182.2
[M+K]+ 313.050438 166.5
[M+H-H2O]+ 257.084540 154.7
[M+HCOO]- 319.085481 173.4
[M+CH3COO]- 333.101131 173.8
[M+Na-2H]- 295.061946 166.1
[M]+ 274.08673142 164.2
[M]- 274.08782858 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.