PubChemLite - Chebi:193009 (C24H29N3O2)

Structural Information

Molecular Formula

SMILES

C[C@H]1C(=O)N/C(=C/C2=C(NC3=C(C=CC=C23)CC=C(C)C)C(C)(C)C=C)/C(=O)N1

InChI

InChI=1S/C24H29N3O2/c1-7-24(5,6)21-18(13-19-23(29)25-15(4)22(28)26-19)17-10-8-9-16(20(17)27-21)12-11-14(2)3/h7-11,13,15,27H,1,12H2,2-6H3,(H,25,29)(H,26,28)/b19-13+/t15-/m0/s1

InChIKey

CVRBXJYAJQNPNW-SJPXOZHESA-N

Compound name

(3S,6E)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-7-(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	202.4
[M+Na]+	414.21520	209.3
[M-H]-	390.21870	202.0
[M+NH4]+	409.25980	211.1
[M+K]+	430.18914	199.5
[M+H-H2O]+	374.22324	194.5
[M+HCOO]-	436.22418	211.0
[M+CH3COO]-	450.23983	218.8
[M+Na-2H]-	412.20065	197.8
[M]+	391.22543	198.1
[M]-	391.22653	198.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.23326

202.4

[M+Na]+

414.21520

209.3

[M-H]-

390.21870

202.0

[M+NH4]+

409.25980

211.1

[M+K]+

430.18914

199.5

[M+H-H2O]+

374.22324

194.5

[M+HCOO]-

436.22418

211.0

[M+CH3COO]-

450.23983

218.8

[M+Na-2H]-

412.20065

197.8

[M]+

391.22543

198.1

[M]-

391.22653

198.1

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

Chebi:193009

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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