CID 90478600

Geissoschizoline methyl chloride

Structural Information

Molecular Formula
C20H29N2O
SMILES
CC[C@@H]1C[N+]2(CC[C@@]34[C@@H]2C[C@@H]1[C@@H]([C@@H]3NC5=CC=CC=C45)CO)C
InChI
InChI=1S/C20H29N2O/c1-3-13-11-22(2)9-8-20-16-6-4-5-7-17(16)21-19(20)15(12-23)14(13)10-18(20)22/h4-7,13-15,18-19,21,23H,3,8-12H2,1-2H3/q+1/t13-,14+,15+,18+,19+,20-,22?/m1/s1
InChIKey
KLPBFPXTDBCYIG-FNLCLTDESA-N
Compound name
[(1S,9S,10S,11S,12S,17S)-12-ethyl-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.228 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.23528 174.8
[M+Na]+ 336.21722 186.4
[M+NH4]+ 331.26182 188.6
[M+K]+ 352.19116 178.9
[M-H]- 312.22072 177.4
[M+Na-2H]- 334.20267 176.5
[M]+ 313.22745 177.8
[M]- 313.22855 177.8
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

No patent data available for this compound.