PubChemLite - N-[2-chloro-9-[4-(1h-indole-5-carbonyl)piperazin-1-yl]-9h-fluoren-3-yl]acetamide (C28H25ClN4O2)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=C(C=C2C(C3=CC=CC=C3C2=C1)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)NC=C6)Cl

InChI

InChI=1S/C28H25ClN4O2/c1-17(34)31-26-16-22-20-4-2-3-5-21(20)27(23(22)15-24(26)29)32-10-12-33(13-11-32)28(35)19-6-7-25-18(14-19)8-9-30-25/h2-9,14-16,27,30H,10-13H2,1H3,(H,31,34)

InChIKey

JSVCRXOOKBXPGX-UHFFFAOYSA-N

Compound name

N-[2-chloro-9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-3-yl]acetamide

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]+	485.17388	215.9
[M+Na]+	507.15582	223.0
[M-H]-	483.15932	223.3
[M+NH4]+	502.20042	225.2
[M+K]+	523.12976	213.9
[M+H-H2O]+	467.16386	205.3
[M+HCOO]-	529.16480	223.9
[M+CH3COO]-	543.18045	222.5
[M+Na-2H]-	505.14127	212.7
[M]+	484.16605	216.1
[M]-	484.16715	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.17388

215.9

[M+Na]+

507.15582

223.0

[M-H]-

483.15932

223.3

[M+NH4]+

502.20042

225.2

[M+K]+

523.12976

213.9

[M+H-H2O]+

467.16386

205.3

[M+HCOO]-

529.16480

223.9

[M+CH3COO]-

543.18045

222.5

[M+Na-2H]-

505.14127

212.7

[M]+

484.16605

216.1

[M]-

484.16715

216.1

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

N-[2-chloro-9-[4-(1h-indole-5-carbonyl)piperazin-1-yl]-9h-fluoren-3-yl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe