CID 91617603

Macusine b chloride

Structural Information

Molecular Formula
C20H25N2O
SMILES
C/C=C\1/C[N@+]2([C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=CC=CC=C45)CO)C
InChI
InChI=1S/C20H25N2O/c1-3-12-10-22(2)18-9-15-13-6-4-5-7-17(13)21-20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,21,23H,8-11H2,1-2H3/q+1/b12-3-/t14-,16+,18-,19-,22+/m0/s1
InChIKey
KRTATNOTKFNEFT-GXFHUVTISA-N
Compound name
[(1S,12S,13R,14R,15E,17R)-15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1967 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.20398 169.7
[M+Na]+ 332.18592 184.2
[M+NH4]+ 327.23052 183.1
[M+K]+ 348.15986 175.4
[M-H]- 308.18942 171.1
[M+Na-2H]- 330.17137 168.8
[M]+ 309.19615 172.8
[M]- 309.19725 172.8
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

No patent data available for this compound.