CID 3041972

Brn 4033226

Structural Information

Molecular Formula
C24H35N2O4
SMILES
CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(COC)O)O
InChI
InChI=1S/C24H35N2O4/c1-4-14-15-9-18-21-24(16-7-5-6-8-17(16)25(21)2)10-19(20(15)22(24)28)26(18,23(14)29)11-13(27)12-30-3/h5-8,13-15,18-23,27-29H,4,9-12H2,1-3H3/q+1/t13?,14-,15?,18-,19-,20?,21-,22+,23+,24?,26?/m0/s1
InChIKey
WEHCRDKJZFTXBS-LZSHPBGSSA-N
Compound name
(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-methoxypropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.25967 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.26695 194.6
[M+Na]+ 438.24889 203.5
[M+NH4]+ 433.29349 207.0
[M+K]+ 454.22283 197.9
[M-H]- 414.25239 193.2
[M+Na-2H]- 436.23434 188.5
[M]+ 415.25912 195.9
[M]- 415.26022 195.9
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.