PubChemLite - 765278-34-0 (C26H16Cl2N4O5)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)/C=N/NC(=O)C3=NC=CN=C3)OC(=O)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H16Cl2N4O5/c27-19-6-1-16(2-7-19)25(34)36-21-10-5-18(14-31-32-24(33)22-15-29-11-12-30-22)23(13-21)37-26(35)17-3-8-20(28)9-4-17/h1-15H,(H,32,33)/b31-14+

InChIKey

ISCQQFKXOHAEKS-XAZZYMPDSA-N

Compound name

[3-(4-chlorobenzoyl)oxy-4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate

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]+	535.05708	219.2
[M+Na]+	557.03902	225.5
[M-H]-	533.04252	229.6
[M+NH4]+	552.08362	221.9
[M+K]+	573.01296	219.7
[M+H-H2O]+	517.04706	206.4
[M+HCOO]-	579.04800	231.6
[M+CH3COO]-	593.06365	246.5
[M+Na-2H]-	555.02447	221.0
[M]+	534.04925	226.2
[M]-	534.05035	226.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.05708

219.2

[M+Na]+

557.03902

225.5

[M-H]-

533.04252

229.6

[M+NH4]+

552.08362

221.9

[M+K]+

573.01296

219.7

[M+H-H2O]+

517.04706

206.4

[M+HCOO]-

579.04800

231.6

[M+CH3COO]-

593.06365

246.5

[M+Na-2H]-

555.02447

221.0

[M]+

534.04925

226.2

[M]-

534.05035

226.2

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

765278-34-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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