CID 5462445

Lycopodine

Structural Information

Molecular Formula
C16H25NO
SMILES
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4
InChI
InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1
InChIKey
BCZFSDNVXODRAJ-JTTNIQEDSA-N
Compound name
(1R,2R,10S,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

314
Patents

247.19362 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 160.4
[M+Na]+ 270.18284 163.2
[M-H]- 246.18634 162.2
[M+NH4]+ 265.22744 180.6
[M+K]+ 286.15678 159.0
[M+H-H2O]+ 230.19088 151.4
[M+HCOO]- 292.19182 168.3
[M+CH3COO]- 306.20747 169.0
[M+Na-2H]- 268.16829 163.2
[M]+ 247.19307 151.1
[M]- 247.19417 151.1
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