PubChemLite - Einecs 230-258-1 (C24H15Cl2N5O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)Cl)Cl)O)C(=O)NC4=CC5=C(C=C4)NC(=O)N5

InChI

InChI=1S/C24H15Cl2N5O3/c25-13-5-7-17(26)19(10-13)30-31-21-15-4-2-1-3-12(15)9-16(22(21)32)23(33)27-14-6-8-18-20(11-14)29-24(34)28-18/h1-11,32H,(H,27,33)(H2,28,29,34)

InChIKey

NAEXAHVLTQKKCY-UHFFFAOYSA-N

Compound name

4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-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]+	492.06248	210.7
[M+Na]+	514.04442	221.7
[M-H]-	490.04792	219.2
[M+NH4]+	509.08902	219.0
[M+K]+	530.01836	212.9
[M+H-H2O]+	474.05246	201.1
[M+HCOO]-	536.05340	223.6
[M+CH3COO]-	550.06905	219.2
[M+Na-2H]-	512.02987	214.7
[M]+	491.05465	216.3
[M]-	491.05575	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.06248

210.7

[M+Na]+

514.04442

221.7

[M-H]-

490.04792

219.2

[M+NH4]+

509.08902

219.0

[M+K]+

530.01836

212.9

[M+H-H2O]+

474.05246

201.1

[M+HCOO]-

536.05340

223.6

[M+CH3COO]-

550.06905

219.2

[M+Na-2H]-

512.02987

214.7

[M]+

491.05465

216.3

[M]-

491.05575

216.3

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

Einecs 230-258-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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