PubChemLite - 2-phthalimidomethylquinacridone (C29H17N3O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC4=C(C=C3)NC5=C(C4=O)C=C6C(=C5)C(=O)C7=CC=CC=C7N6

InChI

InChI=1S/C29H17N3O4/c33-26-18-7-3-4-8-22(18)30-24-13-21-25(12-20(24)26)31-23-10-9-15(11-19(23)27(21)34)14-32-28(35)16-5-1-2-6-17(16)29(32)36/h1-13H,14H2,(H,30,33)(H,31,34)

InChIKey

SJIQTGOBEGYKSI-UHFFFAOYSA-N

Compound name

2-[(1,3-dioxoisoindol-2-yl)methyl]-5,12-dihydroquinolino[2,3-b]acridine-7,14-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]+	472.12920	214.3
[M+Na]+	494.11114	226.9
[M-H]-	470.11464	220.7
[M+NH4]+	489.15574	222.8
[M+K]+	510.08508	216.5
[M+H-H2O]+	454.11918	201.6
[M+HCOO]-	516.12012	226.5
[M+CH3COO]-	530.13577	221.9
[M+Na-2H]-	492.09659	218.4
[M]+	471.12137	217.2
[M]-	471.12247	217.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.12920

214.3

[M+Na]+

494.11114

226.9

[M-H]-

470.11464

220.7

[M+NH4]+

489.15574

222.8

[M+K]+

510.08508

216.5

[M+H-H2O]+

454.11918

201.6

[M+HCOO]-

516.12012

226.5

[M+CH3COO]-

530.13577

221.9

[M+Na-2H]-

492.09659

218.4

[M]+

471.12137

217.2

[M]-

471.12247

217.2

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

2-phthalimidomethylquinacridone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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