CID 3043027

1,2,3,3a,4,5,6,7-octahydro-3,11b-diazacyclohepta(jk)fluorene monohydrochloride

Structural Information

Molecular Formula
C15H18N2
SMILES
C1CCC2=C3C(C1)NCCN3C4=CC=CC=C24
InChI
InChI=1S/C15H18N2/c1-3-7-13-15-12(6-1)11-5-2-4-8-14(11)17(15)10-9-16-13/h2,4-5,8,13,16H,1,3,6-7,9-10H2
InChIKey
UFJUNMXHYVRVQP-UHFFFAOYSA-N
Compound name
1,4-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-10(17),11,13,15-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 150.9
[M+Na]+ 249.13622 157.8
[M-H]- 225.13972 153.7
[M+NH4]+ 244.18082 169.9
[M+K]+ 265.11016 154.3
[M+H-H2O]+ 209.14426 144.2
[M+HCOO]- 271.14520 165.3
[M+CH3COO]- 285.16085 161.6
[M+Na-2H]- 247.12167 157.0
[M]+ 226.14645 144.9
[M]- 226.14755 144.9
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.