CID 253295

Rubijervine hydrobromide

Structural Information

Molecular Formula
C27H43NO2
SMILES
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)O)C)C
InChI
InChI=1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey
AANKDJLVHZQCFG-KVHNBARJSA-N
Compound name
(1S,2R,7S,10R,11S,13S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene-7,13-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

186
Patents

413.32938 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.33666 208.2
[M+Na]+ 436.31860 215.4
[M+NH4]+ 431.36320 220.7
[M+K]+ 452.29254 207.6
[M-H]- 412.32210 210.4
[M+Na-2H]- 434.30405 204.8
[M]+ 413.32883 210.0
[M]- 413.32993 210.0
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