CID 165368658

Isoechinulin b anion

Structural Information

Molecular Formula
C24H27N3O2
SMILES
CC(=CCC1=CC2=C(C=C1)NC(=C2/C=C/3\C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)C
InChI
InChI=1S/C24H27N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-13,26H,1,4,9H2,2-3,5-6H3,(H,25,29)(H,27,28)/b20-13+
InChIKey
YXEBXGSIECYEQC-DEDYPNTBSA-N
Compound name
(3E)-3-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.21033 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21761 198.1
[M+Na]+ 412.19955 211.1
[M+NH4]+ 407.24415 201.3
[M+K]+ 428.17349 206.3
[M-H]- 388.20305 197.4
[M+Na-2H]- 410.18500 201.0
[M]+ 389.20978 199.5
[M]- 389.21088 199.5
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.