CID 90658101

Aszonalenin

Structural Information

Molecular Formula
C23H23N3O2
SMILES
CC(C)(C=C)[C@]12C[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3C1NC5=CC=CC=C25
InChI
InChI=1S/C23H23N3O2/c1-4-22(2,3)23-13-18-19(27)24-16-11-7-5-9-14(16)20(28)26(18)21(23)25-17-12-8-6-10-15(17)23/h4-12,18,21,25H,1,13H2,2-3H3,(H,24,27)/t18-,21?,23+/m1/s1
InChIKey
AVLMMDWEIUEKEK-VJEWXZQSSA-N
Compound name
(10S,12R)-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

373.17902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18630 190.5
[M+Na]+ 396.16824 199.3
[M+NH4]+ 391.21284 197.8
[M+K]+ 412.14218 195.9
[M-H]- 372.17174 190.0
[M+Na-2H]- 394.15369 191.3
[M]+ 373.17847 191.6
[M]- 373.17957 191.6
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.