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

literature stripe

Patent stripe

patents stripe