PubChemLite - Cp-526423 (C24H24Cl2N4O4)

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C1Cl)C=C(N2)C(=O)NCCOCCOCCNC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32)

InChIKey

MWWXABBBAPKJDX-UHFFFAOYSA-N

Compound name

5-chloro-N-[2-[2-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide

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]+	503.12474	213.5
[M+Na]+	525.10668	220.9
[M-H]-	501.11018	217.2
[M+NH4]+	520.15128	222.8
[M+K]+	541.08062	213.1
[M+H-H2O]+	485.11472	205.5
[M+HCOO]-	547.11566	224.3
[M+CH3COO]-	561.13131	236.2
[M+Na-2H]-	523.09213	213.8
[M]+	502.11691	222.3
[M]-	502.11801	222.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.12474

213.5

[M+Na]+

525.10668

220.9

[M-H]-

501.11018

217.2

[M+NH4]+

520.15128

222.8

[M+K]+

541.08062

213.1

[M+H-H2O]+

485.11472

205.5

[M+HCOO]-

547.11566

224.3

[M+CH3COO]-

561.13131

236.2

[M+Na-2H]-

523.09213

213.8

[M]+

502.11691

222.3

[M]-

502.11801

222.3

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

Cp-526423

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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