PubChemLite - 134888-32-7 (C30H36N4O4)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5

InChI

InChI=1S/C30H36N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)29(37)24-10-8-22(20-26(24)30(23)38)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36)

InChIKey

GUSIRLMAICXUKB-UHFFFAOYSA-N

Compound name

N-[9,10-dioxo-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-1-ylpropanamide

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]+	517.28098	222.6
[M+Na]+	539.26292	221.0
[M-H]-	515.26642	227.3
[M+NH4]+	534.30752	225.2
[M+K]+	555.23686	214.9
[M+H-H2O]+	499.27096	209.0
[M+HCOO]-	561.27190	230.2
[M+CH3COO]-	575.28755	251.6
[M+Na-2H]-	537.24837	220.3
[M]+	516.27315	214.6
[M]-	516.27425	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.28098

222.6

[M+Na]+

539.26292

221.0

[M-H]-

515.26642

227.3

[M+NH4]+

534.30752

225.2

[M+K]+

555.23686

214.9

[M+H-H2O]+

499.27096

209.0

[M+HCOO]-

561.27190

230.2

[M+CH3COO]-

575.28755

251.6

[M+Na-2H]-

537.24837

220.3

[M]+

516.27315

214.6

[M]-

516.27425

214.6

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

134888-32-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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