CID 3043072

1,2,3,3a,4,5,6,7-octahydro-9-methyl-3,11b-diazacyclohepta(jk)fluorene monohydrochloride

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=CC2=C(C=C1)N3CCNC4C3=C2CCCC4
InChI
InChI=1S/C16H20N2/c1-11-6-7-15-13(10-11)12-4-2-3-5-14-16(12)18(15)9-8-17-14/h6-7,10,14,17H,2-5,8-9H2,1H3
InChIKey
ASOYDQKIXNBETE-UHFFFAOYSA-N
Compound name
13-methyl-1,4-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-10(17),11(16),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 156.0
[M+Na]+ 263.15186 163.4
[M-H]- 239.15536 159.0
[M+NH4]+ 258.19646 174.8
[M+K]+ 279.12580 159.7
[M+H-H2O]+ 223.15990 149.4
[M+HCOO]- 285.16084 170.1
[M+CH3COO]- 299.17649 166.6
[M+Na-2H]- 261.13731 160.9
[M]+ 240.16209 150.7
[M]- 240.16319 150.7
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

No patent data available for this compound.