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]+ 227.154276 150.9
[M+Na]+ 249.136218 157.8
[M-H]- 225.139724 153.7
[M+NH4]+ 244.180823 169.9
[M+K]+ 265.110158 154.3
[M+H-H2O]+ 209.144260 144.2
[M+HCOO]- 271.145201 165.3
[M+CH3COO]- 285.160851 161.6
[M+Na-2H]- 247.121666 157.0
[M]+ 226.14645142 144.9
[M]- 226.14754858 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.