CID 71480279

Brevianamide t

Structural Information

Molecular Formula

C₂₁H₁₉N₃O₂

SMILES

CC(C)(C=C)C1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)N4C=CC=C4C(=O)N3

InChI

InChI=1S/C21H19N3O2/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/h4-12,22H,1H2,2-3H3,(H,23,25)/b16-12-

InChIKey

WXBLMCVYDMVHHI-VBKFSLOCSA-N

Compound name

(3Z)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]pyrrolo[1,2-a]pyrazine-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 345.14774 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	346.155016	186.0
[M+Na]+	368.136958	198.7
[M-H]-	344.140464	190.3
[M+NH4]+	363.181563	200.2
[M+K]+	384.110898	189.5
[M+H-H2O]+	328.145000	178.4
[M+HCOO]-	390.145941	204.1
[M+CH3COO]-	404.161591	196.8
[M+Na-2H]-	366.122406	188.4
[M]+	345.14719142	188.8
[M]-	345.14828858	188.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.