PubChemLite - Notoamide s (C26H33N3O3)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C=CC2=C1NC(=C2C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3)C(C)(C)C=C)O)C

InChI

InChI=1S/C26H33N3O3/c1-6-26(4,5)23-18(14-19-25(32)29-13-7-8-20(29)24(31)27-19)16-11-12-21(30)17(22(16)28-23)10-9-15(2)3/h6,9,11-12,19-20,28,30H,1,7-8,10,13-14H2,2-5H3,(H,27,31)/t19-,20-/m0/s1

InChIKey

ZGWIWQJHQKPWGB-PMACEKPBSA-N

Compound name

(3S,8aS)-3-[[6-hydroxy-2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[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]+	436.25948	210.0
[M+Na]+	458.24142	218.6
[M+NH4]+	453.28602	213.6
[M+K]+	474.21536	217.2
[M-H]-	434.24492	208.9
[M+Na-2H]-	456.22687	208.3
[M]+	435.25165	210.4
[M]-	435.25275	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.25948

210.0

[M+Na]+

458.24142

218.6

[M+NH4]+

453.28602

213.6

[M+K]+

474.21536

217.2

[M-H]-

434.24492

208.9

[M+Na-2H]-

456.22687

208.3

[M]+

435.25165

210.4

[M]-

435.25275

210.4

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

Notoamide s

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe