CID 11109831

Wrightiamine a

Structural Information

Molecular Formula
C21H34N2
SMILES
C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)N)C)C=N1
InChI
InChI=1S/C21H34N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h12-19H,3-11,22H2,1-2H3/t13-,14-,15-,16+,17+,18-,19-,20-,21-/m0/s1
InChIKey
OWJXANQNZAVDIW-XLVUHOLYSA-N
Compound name
(1R,2S,5S,6S,9R,12S,13S,16S,18S)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-7-en-16-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.2722 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.27948 180.7
[M+Na]+ 337.26142 184.7
[M-H]- 313.26492 184.3
[M+NH4]+ 332.30602 204.2
[M+K]+ 353.23536 177.6
[M+H-H2O]+ 297.26946 172.4
[M+HCOO]- 359.27040 189.2
[M+CH3COO]- 373.28605 188.6
[M+Na-2H]- 335.24687 177.7
[M]+ 314.27165 170.3
[M]- 314.27275 170.3
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.