PubChemLite - Einecs 265-342-7 (C26H27Cl2N7O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C(=C2)C)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)OC)NC(=O)C

InChI

InChI=1S/C26H27Cl2N7O4/c1-6-34(7-2)17-8-9-21(23(13-17)29-16(4)36)30-32-24-10-15(3)22(14-25(24)39-5)31-33-26-19(27)11-18(35(37)38)12-20(26)28/h8-14H,6-7H2,1-5H3,(H,29,36)

InChIKey

JGDSMFUIOOPEIQ-UHFFFAOYSA-N

Compound name

N-[2-[[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-5-(diethylamino)phenyl]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]+	572.15743	247.5
[M+Na]+	594.13937	251.7
[M-H]-	570.14287	261.8
[M+NH4]+	589.18397	253.2
[M+K]+	610.11331	245.2
[M+H-H2O]+	554.14741	240.0
[M+HCOO]-	616.14835	271.1
[M+CH3COO]-	630.16400	273.2
[M+Na-2H]-	592.12482	248.1
[M]+	571.14960	257.5
[M]-	571.15070	257.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

572.15743

247.5

[M+Na]+

594.13937

251.7

[M-H]-

570.14287

261.8

[M+NH4]+

589.18397

253.2

[M+K]+

610.11331

245.2

[M+H-H2O]+

554.14741

240.0

[M+HCOO]-

616.14835

271.1

[M+CH3COO]-

630.16400

273.2

[M+Na-2H]-

592.12482

248.1

[M]+

571.14960

257.5

[M]-

571.15070

257.5

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

Einecs 265-342-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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