PubChemLite - Brevianamide b (C21H23N3O3)

Structural Information

Molecular Formula

SMILES

CC1(C2CC34CCCN3C(=O)C2(CC15C(=O)C6=CC=CC=C6N5)NC4=O)C

InChI

InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)

InChIKey

MWOFPQAPILIIPR-UHFFFAOYSA-N

Compound name

10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione

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]+	366.18123	178.7
[M+Na]+	388.16317	187.2
[M-H]-	364.16667	178.4
[M+NH4]+	383.20777	204.1
[M+K]+	404.13711	178.6
[M+H-H2O]+	348.17121	169.0
[M+HCOO]-	410.17215	181.6
[M+CH3COO]-	424.18780	186.4
[M+Na-2H]-	386.14862	180.2
[M]+	365.17340	177.0
[M]-	365.17450	177.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.18123

178.7

[M+Na]+

388.16317

187.2

[M-H]-

364.16667

178.4

[M+NH4]+

383.20777

204.1

[M+K]+

404.13711

178.6

[M+H-H2O]+

348.17121

169.0

[M+HCOO]-

410.17215

181.6

[M+CH3COO]-

424.18780

186.4

[M+Na-2H]-

386.14862

180.2

[M]+

365.17340

177.0

[M]-

365.17450

177.0

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

Brevianamide b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe