CID 5351589

Anagyrine

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4C3=CC=CC4=O
InChI
InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13-/m1/s1
InChIKey
FQEQMASDZFXSJI-JHJVBQTASA-N
Compound name
(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

415
Patents

244.15756 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 154.3
[M+Na]+ 267.14678 160.0
[M-H]- 243.15028 154.7
[M+NH4]+ 262.19138 172.2
[M+K]+ 283.12072 154.9
[M+H-H2O]+ 227.15482 145.0
[M+HCOO]- 289.15576 164.7
[M+CH3COO]- 303.17141 163.8
[M+Na-2H]- 265.13223 160.9
[M]+ 244.15701 148.3
[M]- 244.15811 148.3
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.