CID 6918763

Multiflorine

Structural Information

Molecular Formula
C15H22N2O
SMILES
C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CC(=O)C=C4
InChI
InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12-,14-,15+/m0/s1
InChIKey
HQSKZPOVBDNEGN-NZBPQXDJSA-N
Compound name
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

29
Patents

246.17322 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.180496 156.8
[M+Na]+ 269.162438 160.4
[M-H]- 245.165944 156.3
[M+NH4]+ 264.207043 174.2
[M+K]+ 285.136378 155.7
[M+H-H2O]+ 229.170480 147.4
[M+HCOO]- 291.171421 164.2
[M+CH3COO]- 305.187071 165.1
[M+Na-2H]- 267.147886 161.2
[M]+ 246.17267142 147.8
[M]- 246.17376858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe