CID 3049878

3-ethyl-6-methyl-2,3,3a,4-tetrahydro-1h-indolo(3,2,1-de)(1,5)naphthyridine

Structural Information

Molecular Formula
C17H20N2
SMILES
CCN1CCC2=C3C1CC=C(N3C4=CC=CC=C24)C
InChI
InChI=1S/C17H20N2/c1-3-18-11-10-14-13-6-4-5-7-15(13)19-12(2)8-9-16(18)17(14)19/h4-8,16H,3,9-11H2,1-2H3
InChIKey
GAPRWLPGBVRRIU-UHFFFAOYSA-N
Compound name
6-ethyl-2-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 159.0
[M+Na]+ 275.15186 174.6
[M+NH4]+ 270.19646 169.8
[M+K]+ 291.12580 166.8
[M-H]- 251.15536 162.5
[M+Na-2H]- 273.13731 163.9
[M]+ 252.16209 162.5
[M]- 252.16319 162.5
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.