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

423
Patents

244.15756 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 154.3
[M+Na]+ 267.146778 160.0
[M-H]- 243.150284 154.7
[M+NH4]+ 262.191383 172.2
[M+K]+ 283.120718 154.9
[M+H-H2O]+ 227.154820 145.0
[M+HCOO]- 289.155761 164.7
[M+CH3COO]- 303.171411 163.8
[M+Na-2H]- 265.132226 160.9
[M]+ 244.15701142 148.3
[M]- 244.15810858 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

literature stripe

Patent stripe

patents stripe