PubChemLite - Brevianamide v (C21H23N3O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C=C)C1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)N4CCC[C@H]4C(=O)N3

InChI

InChI=1S/C21H23N3O2/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/h4-6,8-9,12,17,22H,1,7,10-11H2,2-3H3,(H,23,25)/b16-12-/t17-/m0/s1

InChIKey

OLIPWSSLWWMAAT-WBILKINKSA-N

Compound name

(3Z,8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

Related CIDs

2D Structure

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]+	350.18630	189.5
[M+Na]+	372.16824	197.3
[M-H]-	348.17174	191.6
[M+NH4]+	367.21284	203.0
[M+K]+	388.14218	188.9
[M+H-H2O]+	332.17628	182.0
[M+HCOO]-	394.17722	200.6
[M+CH3COO]-	408.19287	197.7
[M+Na-2H]-	370.15369	187.3
[M]+	349.17847	185.2
[M]-	349.17957	185.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

350.18630

189.5

[M+Na]+

372.16824

197.3

[M-H]-

348.17174

191.6

[M+NH4]+

367.21284

203.0

[M+K]+

388.14218

188.9

[M+H-H2O]+

332.17628

182.0

[M+HCOO]-

394.17722

200.6

[M+CH3COO]-

408.19287

197.7

[M+Na-2H]-

370.15369

187.3

[M]+

349.17847

185.2

[M]-

349.17957

185.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Brevianamide v

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe