PubChemLite - Genz-13108 (C30H30N4O2)

Structural Information

Molecular Formula

SMILES

CCCC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2N4CCN(CC4)C(=O)C5=CC6=C(C=C5)NC=C6

InChI

InChI=1S/C30H30N4O2/c1-2-5-28(35)32-22-9-10-24-23-6-3-4-7-25(23)29(26(24)19-22)33-14-16-34(17-15-33)30(36)21-8-11-27-20(18-21)12-13-31-27/h3-4,6-13,18-19,29,31H,2,5,14-17H2,1H3,(H,32,35)

InChIKey

APGNNIFADFBLCX-UHFFFAOYSA-N

Compound name

N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide

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]+	479.24416	215.4
[M+Na]+	501.22610	219.9
[M-H]-	477.22960	222.3
[M+NH4]+	496.27070	223.6
[M+K]+	517.20004	211.4
[M+H-H2O]+	461.23414	204.1
[M+HCOO]-	523.23508	227.2
[M+CH3COO]-	537.25073	221.2
[M+Na-2H]-	499.21155	212.5
[M]+	478.23633	213.2
[M]-	478.23743	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.24416

215.4

[M+Na]+

501.22610

219.9

[M-H]-

477.22960

222.3

[M+NH4]+

496.27070

223.6

[M+K]+

517.20004

211.4

[M+H-H2O]+

461.23414

204.1

[M+HCOO]-

523.23508

227.2

[M+CH3COO]-

537.25073

221.2

[M+Na-2H]-

499.21155

212.5

[M]+

478.23633

213.2

[M]-

478.23743

213.2

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

Genz-13108

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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