PubChemLite - Notoamide c (C26H31N3O4)

Structural Information

Molecular Formula

SMILES

CC1(C=CC2=C(O1)C=CC3=C2NC(=O)[C@@]3(C[C@H]4C(=O)N5CCC[C@H]5C(=O)N4)C(C)(C)C=C)C

InChI

InChI=1S/C26H31N3O4/c1-6-24(2,3)26(14-17-22(31)29-13-7-8-18(29)21(30)27-17)16-9-10-19-15(20(16)28-23(26)32)11-12-25(4,5)33-19/h6,9-12,17-18H,1,7-8,13-14H2,2-5H3,(H,27,30)(H,28,32)/t17-,18-,26-/m0/s1

InChIKey

KNFZHRYXLWKRSU-XWXLMPLOSA-N

Compound name

(3S,8aS)-3-[[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]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]+	450.23873	208.8
[M+Na]+	472.22067	217.6
[M+NH4]+	467.26527	216.2
[M+K]+	488.19461	212.7
[M-H]-	448.22417	209.7
[M+Na-2H]-	470.20612	209.0
[M]+	449.23090	210.3
[M]-	449.23200	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.23873

208.8

[M+Na]+

472.22067

217.6

[M+NH4]+

467.26527

216.2

[M+K]+

488.19461

212.7

[M-H]-

448.22417

209.7

[M+Na-2H]-

470.20612

209.0

[M]+

449.23090

210.3

[M]-

449.23200

210.3

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

Notoamide c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe