CID 3051769

3-methyl-1,2,3,3a,4,5-hexahydrocanthin

Structural Information

Molecular Formula
C15H18N2
SMILES
CN1CCC2=C3C1CCCN3C4=CC=CC=C24
InChI
InChI=1S/C15H18N2/c1-16-10-8-12-11-5-2-3-6-13(11)17-9-4-7-14(16)15(12)17/h2-3,5-6,14H,4,7-10H2,1H3
InChIKey
KZHVYCGAJOZASI-UHFFFAOYSA-N
Compound name
6-methyl-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

226.147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 151.2
[M+Na]+ 249.13622 165.9
[M+NH4]+ 244.18082 162.3
[M+K]+ 265.11016 158.6
[M-H]- 225.13972 154.5
[M+Na-2H]- 247.12167 155.9
[M]+ 226.14645 154.4
[M]- 226.14755 154.4
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.