PubChemLite - Chebi:193010 (C24H29N3O2)

Structural Information

Molecular Formula

SMILES

C[C@H]1C(=O)N/C(=C/C2=C(NC3=C2C=C(C=C3)CC=C(C)C)C(C)(C)C=C)/C(=O)N1

InChI

InChI=1S/C24H29N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-13,15,26H,1,9H2,2-6H3,(H,25,29)(H,27,28)/b20-13+/t15-/m0/s1

InChIKey

ZHKHUDVCZTVZPU-NPRIEWAGSA-N

Compound name

(3S,6E)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-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]+	392.23326	200.4
[M+Na]+	414.21520	210.6
[M+NH4]+	409.25980	203.7
[M+K]+	430.18914	206.6
[M-H]-	390.21870	199.3
[M+Na-2H]-	412.20065	200.9
[M]+	391.22543	201.1
[M]-	391.22653	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.23326

200.4

[M+Na]+

414.21520

210.6

[M+NH4]+

409.25980

203.7

[M+K]+

430.18914

206.6

[M-H]-

390.21870

199.3

[M+Na-2H]-

412.20065

200.9

[M]+

391.22543

201.1

[M]-

391.22653

201.1

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

Chebi:193010

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe