CID 281253

Panamine

Structural Information

Molecular Formula
C20H33N3
SMILES
C1CCN2CC34CC(C2C1)CC5C3N(CCC5)C6CCCC4N6
InChI
InChI=1S/C20H33N3/c1-2-9-22-13-20-12-15(16(22)6-1)11-14-5-4-10-23(19(14)20)18-8-3-7-17(20)21-18/h14-19,21H,1-13H2
InChIKey
MRLGBUWOAFGOBH-UHFFFAOYSA-N
Compound name
7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

89
Patents

315.26746 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.27474 175.3
[M+Na]+ 338.25668 173.9
[M-H]- 314.26018 169.8
[M+NH4]+ 333.30128 190.6
[M+K]+ 354.23062 166.6
[M+H-H2O]+ 298.26472 161.2
[M+HCOO]- 360.26566 169.6
[M+CH3COO]- 374.28131 178.2
[M+Na-2H]- 336.24213 177.3
[M]+ 315.26691 159.6
[M]- 315.26801 159.6
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

patents stripe