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 160.1
[M+Na]+ 275.15186 169.7
[M-H]- 251.15536 163.1
[M+NH4]+ 270.19646 180.2
[M+K]+ 291.12580 163.6
[M+H-H2O]+ 235.15990 151.8
[M+HCOO]- 297.16084 176.6
[M+CH3COO]- 311.17649 171.8
[M+Na-2H]- 273.13731 165.3
[M]+ 252.16209 161.1
[M]- 252.16319 161.1
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.