CID 71596533

Brevianamide k

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC(C)(C=C)C1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)N4CCC=C4C(=O)N3
InChI
InChI=1S/C21H21N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-10,12,22H,1,7,11H2,2-3H3,(H,23,25)/b16-12-
InChIKey
VLLSKMDBWJJQDE-VBKFSLOCSA-N
Compound name
(3Z)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6,7-dihydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

347.1634 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 186.7
[M+Na]+ 370.15262 198.5
[M-H]- 346.15612 190.7
[M+NH4]+ 365.19722 200.8
[M+K]+ 386.12656 189.4
[M+H-H2O]+ 330.16066 179.2
[M+HCOO]- 392.16160 203.5
[M+CH3COO]- 406.17725 197.1
[M+Na-2H]- 368.13807 188.3
[M]+ 347.16285 188.2
[M]- 347.16395 188.2
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.