PubChemLite - Notoamide e (C26H31N3O3)

Structural Information

Molecular Formula

SMILES

CC1(C=CC2=C(O1)C=CC3=C2NC(=C3C[C@H]4C(=O)N5CCC[C@H]5C(=O)N4)C(C)(C)C=C)C

InChI

InChI=1S/C26H31N3O3/c1-6-25(2,3)22-17(14-18-24(31)29-13-7-8-19(29)23(30)27-18)15-9-10-20-16(21(15)28-22)11-12-26(4,5)32-20/h6,9-12,18-19,28H,1,7-8,13-14H2,2-5H3,(H,27,30)/t18-,19-/m0/s1

InChIKey

FQFSPHHVEQZCED-OALUTQOASA-N

Compound name

(3S,8aS)-3-[[7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-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]+	434.24382	211.6
[M+Na]+	456.22576	219.7
[M-H]-	432.22926	215.1
[M+NH4]+	451.27036	223.4
[M+K]+	472.19970	212.3
[M+H-H2O]+	416.23380	203.7
[M+HCOO]-	478.23474	217.9
[M+CH3COO]-	492.25039	218.5
[M+Na-2H]-	454.21121	208.7
[M]+	433.23599	210.1
[M]-	433.23709	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.24382

211.6

[M+Na]+

456.22576

219.7

[M-H]-

432.22926

215.1

[M+NH4]+

451.27036

223.4

[M+K]+

472.19970

212.3

[M+H-H2O]+

416.23380

203.7

[M+HCOO]-

478.23474

217.9

[M+CH3COO]-

492.25039

218.5

[M+Na-2H]-

454.21121

208.7

[M]+

433.23599

210.1

[M]-

433.23709

210.1

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

Notoamide e

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe