CID 3049870

2,3,3a,4,5,6-hexahydro-3,6-dimethyl-1h-indolo(3,2,1-de)(1,5)naphthyridine

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1CCC2C3=C(CCN2C)C4=CC=CC=C4N13
InChI
InChI=1S/C16H20N2/c1-11-7-8-15-16-13(9-10-17(15)2)12-5-3-4-6-14(12)18(11)16/h3-6,11,15H,7-10H2,1-2H3
InChIKey
LVDHCXXDOSRLNQ-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 156.7
[M+Na]+ 263.15186 165.6
[M-H]- 239.15536 159.4
[M+NH4]+ 258.19646 177.2
[M+K]+ 279.12580 160.0
[M+H-H2O]+ 223.15990 148.5
[M+HCOO]- 285.16084 172.0
[M+CH3COO]- 299.17649 168.2
[M+Na-2H]- 261.13731 161.3
[M]+ 240.16209 155.9
[M]- 240.16319 155.9
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.