CID 3049869

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

Structural Information

Molecular Formula
C16H18N2O
SMILES
CCN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24
InChI
InChI=1S/C16H18N2O/c1-2-17-10-9-12-11-5-3-4-6-13(11)18-15(19)8-7-14(17)16(12)18/h3-6,14H,2,7-10H2,1H3
InChIKey
FACJVESMPVIFOH-UHFFFAOYSA-N
Compound name
6-ethyl-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

254.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 158.7
[M+Na]+ 277.13112 167.7
[M-H]- 253.13462 161.4
[M+NH4]+ 272.17572 178.4
[M+K]+ 293.10506 162.1
[M+H-H2O]+ 237.13916 150.4
[M+HCOO]- 299.14010 174.3
[M+CH3COO]- 313.15575 170.1
[M+Na-2H]- 275.11657 163.5
[M]+ 254.14135 158.7
[M]- 254.14245 158.7
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.