CID 5462442

Huperzine b

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4
InChI
InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
InChIKey
YYWGABLTRMRUIT-HWWQOWPSSA-N
Compound name
(1R,9R,10R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

398
Patents

256.15756 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.9
[M+Na]+ 279.14678 167.3
[M-H]- 255.15028 160.9
[M+NH4]+ 274.19138 178.2
[M+K]+ 295.12072 160.4
[M+H-H2O]+ 239.15482 151.7
[M+HCOO]- 301.15576 170.4
[M+CH3COO]- 315.17141 169.8
[M+Na-2H]- 277.13223 166.7
[M]+ 256.15701 152.8
[M]- 256.15811 152.8
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