PubChemLite - 306967-37-3 (C24H23NO4)

Structural Information

Molecular Formula

SMILES

CC(C)CC(C(=O)O)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35

InChI

InChI=1S/C24H23NO4/c1-12(2)11-17(24(28)29)25-22(26)20-18-13-7-3-4-8-14(13)19(21(20)23(25)27)16-10-6-5-9-15(16)18/h3-10,12,17-21H,11H2,1-2H3,(H,28,29)

InChIKey

PGJVHPHCIWSPOX-UHFFFAOYSA-N

Compound name

2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-methylpentanoic acid

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]+	390.17000	189.7
[M+Na]+	412.15194	192.9
[M-H]-	388.15544	191.4
[M+NH4]+	407.19654	205.1
[M+K]+	428.12588	188.3
[M+H-H2O]+	372.15998	181.3
[M+HCOO]-	434.16092	195.7
[M+CH3COO]-	448.17657	196.7
[M+Na-2H]-	410.13739	189.2
[M]+	389.16217	191.9
[M]-	389.16327	191.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.17000

189.7

[M+Na]+

412.15194

192.9

[M-H]-

388.15544

191.4

[M+NH4]+

407.19654

205.1

[M+K]+

428.12588

188.3

[M+H-H2O]+

372.15998

181.3

[M+HCOO]-

434.16092

195.7

[M+CH3COO]-

448.17657

196.7

[M+Na-2H]-

410.13739

189.2

[M]+

389.16217

191.9

[M]-

389.16327

191.9

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

306967-37-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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