CID 422926

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

Structural Information

Molecular Formula
C15H16N2O
SMILES
CN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24
InChI
InChI=1S/C15H16N2O/c1-16-9-8-11-10-4-2-3-5-12(10)17-14(18)7-6-13(16)15(11)17/h2-5,13H,6-9H2,1H3
InChIKey
FYMGFECYSIVLAK-UHFFFAOYSA-N
Compound name
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

3
Patents

240.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 154.0
[M+Na]+ 263.115488 163.5
[M-H]- 239.118994 156.9
[M+NH4]+ 258.160093 174.3
[M+K]+ 279.089428 158.1
[M+H-H2O]+ 223.123530 146.0
[M+HCOO]- 285.124471 170.0
[M+CH3COO]- 299.140121 165.9
[M+Na-2H]- 261.100936 159.3
[M]+ 240.12572142 153.7
[M]- 240.12681858 153.7
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

patents stripe