PubChemLite - Cep-9722 (C24H26N4O3)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)CN2C(=O)C3=C(C2=O)C4=C(C5=C3CCC5)NC6=C4C(=CC=C6)OC

InChI

InChI=1S/C24H26N4O3/c1-26-9-11-27(12-10-26)13-28-23(29)18-14-5-3-6-15(14)22-20(21(18)24(28)30)19-16(25-22)7-4-8-17(19)31-2/h4,7-8,25H,3,5-6,9-13H2,1-2H3

InChIKey

CTLOSZHDGZLOQE-UHFFFAOYSA-N

Compound name

14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-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]+	419.20778	203.4
[M+Na]+	441.18972	215.4
[M+NH4]+	436.23432	210.4
[M+K]+	457.16366	214.0
[M-H]-	417.19322	205.5
[M+Na-2H]-	439.17517	202.9
[M]+	418.19995	205.5
[M]-	418.20105	205.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.20778

203.4

[M+Na]+

441.18972

215.4

[M+NH4]+

436.23432

210.4

[M+K]+

457.16366

214.0

[M-H]-

417.19322

205.5

[M+Na-2H]-

439.17517

202.9

[M]+

418.19995

205.5

[M]-

418.20105

205.5

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

Cep-9722

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe